(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol

C15H12ClF3O — CID 115796099

IUPAC(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(Cl)cc(C(O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3O/c1-9-6-10(8-11(16)7-9)14(20)12-4-2-3-5-13(12)15(17,18)19/h2-8,14,20H,1H3
InChIKeyDJRGCVBTYWFQOK-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.75
Rot. Bonds2

About (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol

(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 115796099) has the molecular formula C15H12ClF3O and a molecular weight of 300.71 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID115796099
Molecular FormulaC15H12ClF3O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(Cl)cc(C(O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3O/c1-9-6-10(8-11(16)7-9)14(20)12-4-2-3-5-13(12)15(17,18)19/h2-8,14,20H,1H3
InChIKeyDJRGCVBTYWFQOK-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
CID 81317253
(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 61101273
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 115838948
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 81316466
(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710504
(R)-(2-bromophenyl)-(3,5-dichlorophenyl)methanol
CID 97293471

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol (CID 115796099) is (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol is Cc1cc(Cl)cc(C(O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is DJRGCVBTYWFQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O/c1-9-6-10(8-11(16)7-9)14(20)12-4-2-3-5-13(12)15(17,18)19/h2-8,14,20H,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 300.71 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115796099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).