(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol

C15H14BrClO — CID 139494105

IUPAC(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
SMILESCc1cc(Br)c(C(O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H14BrClO/c1-9-7-13(14(16)8-10(9)2)15(18)11-3-5-12(17)6-4-11/h3-8,15,18H,1-2H3
InChIKeyUUMGHTNJHRJJSK-UHFFFAOYSA-N
MW325.63 g/mol
LogP4.80
Rot. Bonds2

About (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol

(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol (PubChem CID 139494105) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
PubChem CID139494105
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
SMILESCc1cc(Br)c(C(O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H14BrClO/c1-9-7-13(14(16)8-10(9)2)15(18)11-3-5-12(17)6-4-11/h3-8,15,18H,1-2H3
InChIKeyUUMGHTNJHRJJSK-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.63
LogP ≤ 54.80
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
(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 81473543
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(2,5-dibromo-4-methylphenyl)-(2,5-dichlorophenyl)methanol
CID 81472697
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
4-bromo-3-[(4-chlorophenyl)-hydroxymethyl]benzonitrile
CID 142416614
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol?
The IUPAC name of (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol (CID 139494105) is (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol is Cc1cc(Br)c(C(O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol?
The InChIKey is UUMGHTNJHRJJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-9-7-13(14(16)8-10(9)2)15(18)11-3-5-12(17)6-4-11/h3-8,15,18H,1-2H3.
What are the key properties of (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol?
(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol has a molecular weight of 325.63 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol is sourced from PubChem (CID 139494105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).