(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol

C16H16BrClO2 — CID 103432694

IUPAC(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2ccc(Cl)c(Br)c2)ccc(C)c1C
InChIInChI=1S/C16H16BrClO2/c1-9-4-6-12(16(20-3)10(9)2)15(19)11-5-7-14(18)13(17)8-11/h4-8,15,19H,1-3H3
InChIKeyAACCEFNLNNKXPL-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.81
Rot. Bonds3

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

(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol (PubChem CID 103432694) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
PubChem CID103432694
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2ccc(Cl)c(Br)c2)ccc(C)c1C
InChIInChI=1S/C16H16BrClO2/c1-9-4-6-12(16(20-3)10(9)2)15(19)11-5-7-14(18)13(17)8-11/h4-8,15,19H,1-3H3
InChIKeyAACCEFNLNNKXPL-UHFFFAOYSA-N
XLogP4.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788
(2-methoxy-3,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 103435788
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432747
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 115566318
(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395113
[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432669
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433209
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
(2-amino-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433130
(4-cyclopropylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432631
(2-methoxy-3,4-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 103432508

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol (CID 103432694) is (3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol is COc1c(C(O)c2ccc(Cl)c(Br)c2)ccc(C)c1C.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The InChIKey is AACCEFNLNNKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-9-4-6-12(16(20-3)10(9)2)15(19)11-5-7-14(18)13(17)8-11/h4-8,15,19H,1-3H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol has a molecular weight of 355.66 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol is sourced from PubChem (CID 103432694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).