1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol

C121H179BrO13 — CID 157095621

IUPAC1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol
SMILESC.C.C.C.C.C.CC(C)c1cc(C(C)O)cc(Br)c1OCc1ccccc1.CC(C)c1cc(C(C)O)cc(C(C)C)c1OCc1ccccc1.CC(C)c1cc(C(C)O)ccc1OCc1ccccc1.CC(C)c1cc(C(C)O)ccc1Oc1ccccc1.COc1c(C(C)C)cc(C(C)O)cc1C(C)C.COc1c(C)cc(C(C)O)cc1C(C)C.COc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C21H28O2.C18H21BrO2.C18H22O2.C17H20O2.C15H24O2.C13H20O2.C13H20O.6CH4/c1-14(2)19-11-18(16(5)22)12-20(15(3)4)21(19)23-13-17-9-7-6-8-10-17;1-12(2)16-9-15(13(3)20)10-17(19)18(16)21-11-14-7-5-4-6-8-14;1-13(2)17-11-16(14(3)19)9-10-18(17)20-12-15-7-5-4-6-8-15;1-12(2)16-11-14(13(3)18)9-10-17(16)19-15-7-5-4-6-8-15;1-9(2)13-7-12(11(5)16)8-14(10(3)4)15(13)17-6;1-8(2)12-7-11(10(4)14)6-9(3)13(12)15-5;1-9(2)11-6-7-13(14-5)12(8-11)10(3)4;;;;;;/h6-12,14-16,22H,13H2,1-5H3;4-10,12-13,20H,11H2,1-3H3;4-11,13-14,19H,12H2,1-3H3;4-13,18H,1-3H3;7-11,16H,1-6H3;6-8,10,14H,1-5H3;6-10H,1-5H3;6*1H4
InChIKeyAFEGYGCYSAUZFU-UHFFFAOYSA-N
MW1921.65 g/mol
LogP34.80
Rot. Bonds30

About 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol

1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol (PubChem CID 157095621) has the molecular formula C121H179BrO13 and a molecular weight of 1921.65 g/mol. Its IUPAC name is 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol
PubChem CID157095621
Molecular FormulaC121H179BrO13
Molecular Weight1921.65 g/mol
Exact Mass1919.25
IUPAC Name1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol
SMILESC.C.C.C.C.C.CC(C)c1cc(C(C)O)cc(Br)c1OCc1ccccc1.CC(C)c1cc(C(C)O)cc(C(C)C)c1OCc1ccccc1.CC(C)c1cc(C(C)O)ccc1OCc1ccccc1.CC(C)c1cc(C(C)O)ccc1Oc1ccccc1.COc1c(C(C)C)cc(C(C)O)cc1C(C)C.COc1c(C)cc(C(C)O)cc1C(C)C.COc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C21H28O2.C18H21BrO2.C18H22O2.C17H20O2.C15H24O2.C13H20O2.C13H20O.6CH4/c1-14(2)19-11-18(16(5)22)12-20(15(3)4)21(19)23-13-17-9-7-6-8-10-17;1-12(2)16-9-15(13(3)20)10-17(19)18(16)21-11-14-7-5-4-6-8-14;1-13(2)17-11-16(14(3)19)9-10-18(17)20-12-15-7-5-4-6-8-15;1-12(2)16-11-14(13(3)18)9-10-17(16)19-15-7-5-4-6-8-15;1-9(2)13-7-12(11(5)16)8-14(10(3)4)15(13)17-6;1-8(2)12-7-11(10(4)14)6-9(3)13(12)15-5;1-9(2)11-6-7-13(14-5)12(8-11)10(3)4;;;;;;/h6-12,14-16,22H,13H2,1-5H3;4-10,12-13,20H,11H2,1-3H3;4-11,13-14,19H,12H2,1-3H3;4-13,18H,1-3H3;7-11,16H,1-6H3;6-8,10,14H,1-5H3;6-10H,1-5H3;6*1H4
InChIKeyAFEGYGCYSAUZFU-UHFFFAOYSA-N
XLogP34.80
TPSA185.99 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.65
LogP ≤ 534.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol with MolForge

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Related Compounds

(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)-2,2,2-trifluoroethanol
CID 72705207
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol
CID 175768889
(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364819
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol
CID 24800476
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol (CID 157095621) is 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol is C.C.C.C.C.C.CC(C)c1cc(C(C)O)cc(Br)c1OCc1ccccc1.CC(C)c1cc(C(C)O)cc(C(C)C)c1OCc1ccccc1.CC(C)c1cc(C(C)O)ccc1OCc1ccccc1.CC(C)c1cc(C(C)O)ccc1Oc1ccccc1.COc1c(C(C)C)cc(C(C)O)cc1C(C)C.COc1c(C)cc(C(C)O)cc1C(C)C.COc1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol?
The InChIKey is AFEGYGCYSAUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2.C18H21BrO2.C18H22O2.C17H20O2.C15H24O2.C13H20O2.C13H20O.6CH4/c1-14(2)19-11-18(16(5)22)12-20(15(3)4)21(19)23-13-17-9-7-6-8-10-17;1-12(2)16-9-15(13(3)20)10-17(19)18(16)21-11-14-7-5-4-6-8-14;1-13(2)17-11-16(14(3)19)9-10-18(17)20-12-15-7-5-4-6-8-15;1-12(2)16-11-14(13(3)18)9-10-17(16)19-15-7-5-4-6-8-15;1-9(2)13-7-12(11(5)16)8-14(10(3)4)15(13)17-6;1-8(2)12-7-11(10(4)14)6-9(3)13(12)15-5;1-9(2)11-6-7-13(14-5)12(8-11)10(3)4;;;;;;/h6-12,14-16,22H,13H2,1-5H3;4-10,12-13,20H,11H2,1-3H3;4-11,13-14,19H,12H2,1-3H3;4-13,18H,1-3H3;7-11,16H,1-6H3;6-8,10,14H,1-5H3;6-10H,1-5H3;6*1H4.
What are the key properties of 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol?
1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol has a molecular weight of 1921.65 g/mol, XLogP of 34.80, 30 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)ethanol;methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)ethanol;1-(4-phenoxy-3-propan-2-ylphenyl)ethanol;1-[4-phenylmethoxy-3,5-di(propan-2-yl)phenyl]ethanol;1-(4-phenylmethoxy-3-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 157095621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).