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

C16H12F6O2 — CID 3625167

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12F6O2/c1-24-13-4-2-9(3-5-13)14(23)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h2-8,14,23H,1H3
InChIKeyFGCKLQKHIHPBSC-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.81
Rot. Bonds3

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

[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol (PubChem CID 3625167) has the molecular formula C16H12F6O2 and a molecular weight of 350.26 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol
PubChem CID3625167
Molecular FormulaC16H12F6O2
Molecular Weight350.26 g/mol
Exact Mass350.07
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12F6O2/c1-24-13-4-2-9(3-5-13)14(23)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h2-8,14,23H,1H3
InChIKeyFGCKLQKHIHPBSC-UHFFFAOYSA-N
XLogP4.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3,5-dimethylphenyl)-(4-methoxyphenyl)methanol
CID 65296830
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
CID 4522761
(3,5-dichlorophenyl)-(4-methoxyphenyl)methanol
CID 61100898
(3-fluoro-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 79691470
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
CID 123699279
(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 113460969
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol (CID 3625167) is [3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol?
The InChIKey is FGCKLQKHIHPBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O2/c1-24-13-4-2-9(3-5-13)14(23)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h2-8,14,23H,1H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol?
[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol has a molecular weight of 350.26 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 3625167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).