(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol

C14H11ClF2O — CID 113397251

IUPAC(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(F)c2)ccc1Cl
InChIInChI=1S/C14H11ClF2O/c1-8-6-9(2-4-11(8)15)14(18)10-3-5-12(16)13(17)7-10/h2-7,14,18H,1H3
InChIKeyMOTKDWNSLIMVES-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.01
Rot. Bonds2

About (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol

(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol (PubChem CID 113397251) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
PubChem CID113397251
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(F)c2)ccc1Cl
InChIInChI=1S/C14H11ClF2O/c1-8-6-9(2-4-11(8)15)14(18)10-3-5-12(16)13(17)7-10/h2-7,14,18H,1H3
InChIKeyMOTKDWNSLIMVES-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780
(4-chloro-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 115793761
(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781666
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807784
(4-chloro-3-methylphenyl)-(furan-3-yl)methanol
CID 91636310
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
CID 64712600
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol (CID 113397251) is (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol is Cc1cc(C(O)c2ccc(F)c(F)c2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol?
The InChIKey is MOTKDWNSLIMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-8-6-9(2-4-11(8)15)14(18)10-3-5-12(16)13(17)7-10/h2-7,14,18H,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol?
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol has a molecular weight of 268.69 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 113397251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).