1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

C218H310F6O8 — CID 157497523

IUPAC1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CC=Cc1ccc(C(C)C)cc1.CC=Cc1ccc(C(C)C)cc1.CCOc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H16O.C12H18O.2C12H16.2C11H16O.C10H11F3O.C10H11F3.2C10H14O.9C10H14.C9H12O.6CH4/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-9(2)10-5-7-11(8-6-10)12(3,4)13;2*1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-3-5-9(10)7-11;4*1-8(2)10-6-4-9(3)5-7-10;5*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-3-4-6-9(8)10;;;;;;/h3-12H,1-2H3;5-9,13H,1-4H3;2*4-10H,1-3H3;4-9,12H,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;2*3-6,8,11H,7H2,1-2H3;9*4-8H,1-3H3;3-7,10H,1-2H3;6*1H4
InChIKeyBXZWRQYELPPLLP-UHFFFAOYSA-N
MW3172.86 g/mol
LogP67.94
Rot. Bonds31

About 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 157497523) has the molecular formula C218H310F6O8 and a molecular weight of 3172.86 g/mol. Its IUPAC name is 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID157497523
Molecular FormulaC218H310F6O8
Molecular Weight3172.86 g/mol
Exact Mass3170.38
IUPAC Name1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CC=Cc1ccc(C(C)C)cc1.CC=Cc1ccc(C(C)C)cc1.CCOc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H16O.C12H18O.2C12H16.2C11H16O.C10H11F3O.C10H11F3.2C10H14O.9C10H14.C9H12O.6CH4/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-9(2)10-5-7-11(8-6-10)12(3,4)13;2*1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-3-5-9(10)7-11;4*1-8(2)10-6-4-9(3)5-7-10;5*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-3-4-6-9(8)10;;;;;;/h3-12H,1-2H3;5-9,13H,1-4H3;2*4-10H,1-3H3;4-9,12H,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;2*3-6,8,11H,7H2,1-2H3;9*4-8H,1-3H3;3-7,10H,1-2H3;6*1H4
InChIKeyBXZWRQYELPPLLP-UHFFFAOYSA-N
XLogP67.94
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds31
Heavy Atoms232
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003172.86
LogP ≤ 567.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157272408
1-tert-butyl-4-(2-methylpropyl)benzene;cumene;3-methylbutoxybenzene;3-methylbutylbenzene;1-methyl-4-(2-methylpropyl)benzene;bis(1-methyl-4-propan-2-ylbenzene);2-methylpropylbenzene;2-[4-(2-methylpropyl)phenyl]propan-2-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 158875726
2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene
CID 167608354
4-chloro-2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;1-chloro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methylpropylbenzene;(4-propan-2-ylphenyl) acetate;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158345902
ethane;ethoxybenzene;toluene;trifluoromethylbenzene
CID 178055102
2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol
CID 174457706
1-tert-butyl-3-ethynylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;4-propan-2-ylphenol
CID 161357626
cumene;ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 158230209
(E,2S,3S)-N-benzyl-3-methyl-2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pent-4-enamide
CID 164899001
1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 165047115
3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol
CID 68720967
1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene
CID 154974875

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 157497523) is 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is C.C.C.C.C.C.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CC=Cc1ccc(C(C)C)cc1.CC=Cc1ccc(C(C)C)cc1.CCOc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.
What is the InChIKey of 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is BXZWRQYELPPLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C12H18O.2C12H16.2C11H16O.C10H11F3O.C10H11F3.2C10H14O.9C10H14.C9H12O.6CH4/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-9(2)10-5-7-11(8-6-10)12(3,4)13;2*1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-3-5-9(10)7-11;4*1-8(2)10-6-4-9(3)5-7-10;5*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-3-4-6-9(8)10;;;;;;/h3-12H,1-2H3;5-9,13H,1-4H3;2*4-10H,1-3H3;4-9,12H,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;2*3-6,8,11H,7H2,1-2H3;9*4-8H,1-3H3;3-7,10H,1-2H3;6*1H4.
What are the key properties of 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3172.86 g/mol, XLogP of 67.94, 31 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 157497523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).