(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol

C16H16ClFO — CID 115484419

IUPAC(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccc(F)c(C)c2)cc1C
InChIInChI=1S/C16H16ClFO/c1-9-7-13(14(17)8-10(9)2)16(19)12-4-5-15(18)11(3)6-12/h4-8,16,19H,1-3H3
InChIKeyKGIAQHOCZZBZRZ-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.49
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol

(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 115484419) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID115484419
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccc(F)c(C)c2)cc1C
InChIInChI=1S/C16H16ClFO/c1-9-7-13(14(17)8-10(9)2)16(19)12-4-5-15(18)11(3)6-12/h4-8,16,19H,1-3H3
InChIKeyKGIAQHOCZZBZRZ-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
CID 113319557
(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 115484480
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(4-fluoro-3-methylphenyl)-(2-methoxyphenyl)methanol
CID 60929843
(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81045709
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol (CID 115484419) is (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol is Cc1cc(Cl)c(C(O)c2ccc(F)c(C)c2)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is KGIAQHOCZZBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-9-7-13(14(17)8-10(9)2)16(19)12-4-5-15(18)11(3)6-12/h4-8,16,19H,1-3H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol?
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 278.75 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 115484419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).