(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol

C15H11ClF4O — CID 107560100

IUPAC(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(O)c2cc(C(F)(F)F)ccc2F)cc1Cl
InChIInChI=1S/C15H11ClF4O/c1-8-2-3-9(6-12(8)16)14(21)11-7-10(15(18,19)20)4-5-13(11)17/h2-7,14,21H,1H3
InChIKeyGVGVCSDYJAFUTD-UHFFFAOYSA-N
MW318.70 g/mol
LogP4.89
Rot. Bonds2

About (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol

(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol (PubChem CID 107560100) has the molecular formula C15H11ClF4O and a molecular weight of 318.70 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
PubChem CID107560100
Molecular FormulaC15H11ClF4O
Molecular Weight318.70 g/mol
Exact Mass318.04
IUPAC Name(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(O)c2cc(C(F)(F)F)ccc2F)cc1Cl
InChIInChI=1S/C15H11ClF4O/c1-8-2-3-9(6-12(8)16)14(21)11-7-10(15(18,19)20)4-5-13(11)17/h2-7,14,21H,1H3
InChIKeyGVGVCSDYJAFUTD-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107128571
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(2-fluoro-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 62791138
(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 81157519
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780
(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114644848
[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 140866705
[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 54576991
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol (CID 107560100) is (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol is Cc1ccc(C(O)c2cc(C(F)(F)F)ccc2F)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is GVGVCSDYJAFUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4O/c1-8-2-3-9(6-12(8)16)14(21)11-7-10(15(18,19)20)4-5-13(11)17/h2-7,14,21H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 318.70 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107560100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).