(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol

C14H11ClF2O — CID 81045704

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
SMILESCc1cc(C(O)c2ccccc2F)c(Cl)cc1F
InChIInChI=1S/C14H11ClF2O/c1-8-6-10(11(15)7-13(8)17)14(18)9-4-2-3-5-12(9)16/h2-7,14,18H,1H3
InChIKeyIALMRLIACJERLO-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.01
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol

(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol (PubChem CID 81045704) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
PubChem CID81045704
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
SMILESCc1cc(C(O)c2ccccc2F)c(Cl)cc1F
InChIInChI=1S/C14H11ClF2O/c1-8-6-10(11(15)7-13(8)17)14(18)9-4-2-3-5-12(9)16/h2-7,14,18H,1H3
InChIKeyIALMRLIACJERLO-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

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 81050730
(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 81045703
bis(2-fluorophenyl)methanol
CID 18424663
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 115484546
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484576
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol (CID 81045704) is (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol is Cc1cc(C(O)c2ccccc2F)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol?
The InChIKey is IALMRLIACJERLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-8-6-10(11(15)7-13(8)17)14(18)9-4-2-3-5-12(9)16/h2-7,14,18H,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol?
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)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 (2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 81045704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).