[4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol

C34H27F3O — CID 123616752

IUPAC[4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol
SMILESCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)c(C)c2)ccc1-c1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C34H27F3O/c1-22-20-28(29-15-19-32(23(2)21-29)25-12-16-30(17-13-25)34(35,36)37)14-18-31(22)24-8-10-27(11-9-24)33(38)26-6-4-3-5-7-26/h3-21,33,38H,1-2H3
InChIKeyVRGSFFGALZSKJZ-UHFFFAOYSA-N
MW508.58 g/mol
LogP9.40
Rot. Bonds5

About [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol

[4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol (PubChem CID 123616752) has the molecular formula C34H27F3O and a molecular weight of 508.58 g/mol. Its IUPAC name is [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol.

Molecular Properties

Compound Name[4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol
PubChem CID123616752
Molecular FormulaC34H27F3O
Molecular Weight508.58 g/mol
Exact Mass508.20
IUPAC Name[4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol
SMILESCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)c(C)c2)ccc1-c1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C34H27F3O/c1-22-20-28(29-15-19-32(23(2)21-29)25-12-16-30(17-13-25)34(35,36)37)14-18-31(22)24-8-10-27(11-9-24)33(38)26-6-4-3-5-7-26/h3-21,33,38H,1-2H3
InChIKeyVRGSFFGALZSKJZ-UHFFFAOYSA-N
XLogP9.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 59.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
[methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 59729412
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
CID 123699279
2-methyl-4-(sulfinoamino)-1-[4-(trifluoromethyl)phenyl]benzene
CID 69027960
4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
CID 102084046
1-[4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 102755531
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol?
The IUPAC name of [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol (CID 123616752) is [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol.
What is the SMILES notation for [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol?
The canonical SMILES for [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol is Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)c(C)c2)ccc1-c1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol?
The InChIKey is VRGSFFGALZSKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F3O/c1-22-20-28(29-15-19-32(23(2)21-29)25-12-16-30(17-13-25)34(35,36)37)14-18-31(22)24-8-10-27(11-9-24)33(38)26-6-4-3-5-7-26/h3-21,33,38H,1-2H3.
What are the key properties of [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol?
[4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol has a molecular weight of 508.58 g/mol, XLogP of 9.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol is sourced from PubChem (CID 123616752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).