(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol

C15H14BrClO2 — CID 104546259

IUPAC(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1ccc(Br)cc1C
InChIInChI=1S/C15H14BrClO2/c1-9-7-10(16)3-5-12(9)15(18)13-8-11(17)4-6-14(13)19-2/h3-8,15,18H,1-2H3
InChIKeyBJULFOIEOJVCFS-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.50
Rot. Bonds3

About (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol

(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol (PubChem CID 104546259) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
PubChem CID104546259
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1ccc(Br)cc1C
InChIInChI=1S/C15H14BrClO2/c1-9-7-10(16)3-5-12(9)15(18)13-8-11(17)4-6-14(13)19-2/h3-8,15,18H,1-2H3
InChIKeyBJULFOIEOJVCFS-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-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol (CID 104546259) is (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol is COc1ccc(Cl)cc1C(O)c1ccc(Br)cc1C.
What is the InChIKey of (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol?
The InChIKey is BJULFOIEOJVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-9-7-10(16)3-5-12(9)15(18)13-8-11(17)4-6-14(13)19-2/h3-8,15,18H,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol?
(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)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 (4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol is sourced from PubChem (CID 104546259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).