(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol

C15H13BrCl2O — CID 81294913

IUPAC(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(Br)c(Cl)c2)c(C)cc1Cl
InChIInChI=1S/C15H13BrCl2O/c1-8-6-13(17)9(2)5-11(8)15(19)10-3-4-12(16)14(18)7-10/h3-7,15,19H,1-2H3
InChIKeyKFGUEYMQODRGPI-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.45
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol

(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol (PubChem CID 81294913) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol
PubChem CID81294913
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(Br)c(Cl)c2)c(C)cc1Cl
InChIInChI=1S/C15H13BrCl2O/c1-8-6-13(17)9(2)5-11(8)15(19)10-3-4-12(16)14(18)7-10/h3-7,15,19H,1-2H3
InChIKeyKFGUEYMQODRGPI-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
1-[bromo-(4-bromo-3-chlorophenyl)methyl]-4-chloro-2,5-dimethylbenzene
CID 81307571
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 81294910
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 81473543
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823118
(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796759
(4-bromo-3-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884138
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-methylphenyl)methanol
CID 63195028

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol?
The IUPAC name of (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol (CID 81294913) is (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol is Cc1cc(C(O)c2ccc(Br)c(Cl)c2)c(C)cc1Cl.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol?
The InChIKey is KFGUEYMQODRGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-8-6-13(17)9(2)5-11(8)15(19)10-3-4-12(16)14(18)7-10/h3-7,15,19H,1-2H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol?
(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol has a molecular weight of 360.08 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol is sourced from PubChem (CID 81294913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).