(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol

C15H13Br3O2 — CID 115369780

IUPAC(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C15H13Br3O2/c1-8-5-13(18)11(7-12(8)17)15(19)10-4-3-9(16)6-14(10)20-2/h3-7,15,19H,1-2H3
InChIKeyKLXSAZXKKXLDTK-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.37
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol

(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol (PubChem CID 115369780) has the molecular formula C15H13Br3O2 and a molecular weight of 464.98 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
PubChem CID115369780
Molecular FormulaC15H13Br3O2
Molecular Weight464.98 g/mol
Exact Mass461.85
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C15H13Br3O2/c1-8-5-13(18)11(7-12(8)17)15(19)10-4-3-9(16)6-14(10)20-2/h3-7,15,19H,1-2H3
InChIKeyKLXSAZXKKXLDTK-UHFFFAOYSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol
CID 114374820
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107950679
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol (CID 115369780) is (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol is COc1cc(Br)ccc1C(O)c1cc(Br)c(C)cc1Br.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The InChIKey is KLXSAZXKKXLDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3O2/c1-8-5-13(18)11(7-12(8)17)15(19)10-4-3-9(16)6-14(10)20-2/h3-7,15,19H,1-2H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol has a molecular weight of 464.98 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol is sourced from PubChem (CID 115369780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).