[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol

C16H12F6O — CID 89357054

IUPAC[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
SMILESCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CO
InChIInChI=1S/C16H12F6O/c1-9-4-10(2-3-11(9)8-23)12-5-13(15(17,18)19)7-14(6-12)16(20,21)22/h2-7,23H,8H2,1H3
InChIKeyOSNUEWDTVZKTHU-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.19
Rot. Bonds2

About [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol

[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol (PubChem CID 89357054) has the molecular formula C16H12F6O and a molecular weight of 334.26 g/mol. Its IUPAC name is [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
PubChem CID89357054
Molecular FormulaC16H12F6O
Molecular Weight334.26 g/mol
Exact Mass334.08
IUPAC Name[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
SMILESCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CO
InChIInChI=1S/C16H12F6O/c1-9-4-10(2-3-11(9)8-23)12-5-13(15(17,18)19)7-14(6-12)16(20,21)22/h2-7,23H,8H2,1H3
InChIKeyOSNUEWDTVZKTHU-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
1-[3-methyl-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
CID 169072324
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
(2-methyl-4-pyridin-4-ylphenyl)methanol
CID 146405714
[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 131534108
[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881354
1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 143812957
[2-methyl-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652299
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746
3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol
CID 53222022
(E)-3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
CID 20765801
3-[4-(hydroxymethyl)-3-methylphenyl]benzonitrile
CID 69444919

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol?
The IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol (CID 89357054) is [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol?
The canonical SMILES for [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol is Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CO.
What is the InChIKey of [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol?
The InChIKey is OSNUEWDTVZKTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O/c1-9-4-10(2-3-11(9)8-23)12-5-13(15(17,18)19)7-14(6-12)16(20,21)22/h2-7,23H,8H2,1H3.
What are the key properties of [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol?
[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol has a molecular weight of 334.26 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol is sourced from PubChem (CID 89357054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).