2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol

C19H21F3O2 — CID 142931027

IUPAC2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol
SMILESCc1ccc(OC(F)(F)F)cc1C(CC(C)CO)c1ccccc1
InChIInChI=1S/C19H21F3O2/c1-13(12-23)10-18(15-6-4-3-5-7-15)17-11-16(9-8-14(17)2)24-19(20,21)22/h3-9,11,13,18,23H,10,12H2,1-2H3
InChIKeyXHSAYHYQZBNMMN-UHFFFAOYSA-N
MW338.37 g/mol
LogP5.04
Rot. Bonds6

About 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol

2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol (PubChem CID 142931027) has the molecular formula C19H21F3O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol
PubChem CID142931027
Molecular FormulaC19H21F3O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol
SMILESCc1ccc(OC(F)(F)F)cc1C(CC(C)CO)c1ccccc1
InChIInChI=1S/C19H21F3O2/c1-13(12-23)10-18(15-6-4-3-5-7-15)17-11-16(9-8-14(17)2)24-19(20,21)22/h3-9,11,13,18,23H,10,12H2,1-2H3
InChIKeyXHSAYHYQZBNMMN-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene
CID 123806348
(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
CID 66515505
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
CID 143206169
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
propan-2-ol;trifluoromethoxybenzene
CID 161029707
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol
CID 107105020
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol
CID 139965700

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol?
The IUPAC name of 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol (CID 142931027) is 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol.
What is the SMILES notation for 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol?
The canonical SMILES for 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol is Cc1ccc(OC(F)(F)F)cc1C(CC(C)CO)c1ccccc1.
What is the InChIKey of 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol?
The InChIKey is XHSAYHYQZBNMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3O2/c1-13(12-23)10-18(15-6-4-3-5-7-15)17-11-16(9-8-14(17)2)24-19(20,21)22/h3-9,11,13,18,23H,10,12H2,1-2H3.
What are the key properties of 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol?
2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol has a molecular weight of 338.37 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol is sourced from PubChem (CID 142931027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).