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

C15H13Cl2FO — CID 106862791

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(C)c(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FO/c1-8-3-4-10(12(16)5-8)15(19)11-6-9(2)14(18)7-13(11)17/h3-7,15,19H,1-2H3
InChIKeyNGACEGHJWYLUKZ-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.83
Rot. Bonds2

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

(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol (PubChem CID 106862791) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
PubChem CID106862791
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(C)c(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FO/c1-8-3-4-10(12(16)5-8)15(19)11-6-9(2)14(18)7-13(11)17/h3-7,15,19H,1-2H3
InChIKeyNGACEGHJWYLUKZ-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
(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
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(4-chloro-2,5-dimethylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862759
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 106861105

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol (CID 106862791) is (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol is Cc1ccc(C(O)c2cc(C)c(F)cc2Cl)c(Cl)c1.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol?
The InChIKey is NGACEGHJWYLUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-8-3-4-10(12(16)5-8)15(19)11-6-9(2)14(18)7-13(11)17/h3-7,15,19H,1-2H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol?
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol has a molecular weight of 299.17 g/mol, XLogP of 4.83, 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-chloro-4-methylphenyl)methanol is sourced from PubChem (CID 106862791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).