(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol

C15H14BrClO2 — CID 61082254

IUPAC(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)ccc2Cl)cc1C
InChIInChI=1S/C15H14BrClO2/c1-9-7-10(3-6-14(9)19-2)15(18)12-8-11(16)4-5-13(12)17/h3-8,15,18H,1-2H3
InChIKeyJCDCQCGREMLJMY-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.50
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol

(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol (PubChem CID 61082254) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
PubChem CID61082254
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)ccc2Cl)cc1C
InChIInChI=1S/C15H14BrClO2/c1-9-7-10(3-6-14(9)19-2)15(18)12-8-11(16)4-5-13(12)17/h3-8,15,18H,1-2H3
InChIKeyJCDCQCGREMLJMY-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene
CID 63442964
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
CID 103210037
(5-bromo-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 65307087
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol (CID 61082254) is (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol is COc1ccc(C(O)c2cc(Br)ccc2Cl)cc1C.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol?
The InChIKey is JCDCQCGREMLJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-9-7-10(3-6-14(9)19-2)15(18)12-8-11(16)4-5-13(12)17/h3-8,15,18H,1-2H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol?
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol has a molecular weight of 341.63 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol is sourced from PubChem (CID 61082254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).