(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone

C15H12Br2O2 — CID 104850964

IUPAC(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)cc(Br)c2)cc1Br
InChIInChI=1S/C15H12Br2O2/c1-9-5-11(7-12(16)6-9)15(18)10-3-4-14(19-2)13(17)8-10/h3-8H,1-2H3
InChIKeyKKLYGVLSTKPSOE-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.76
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone

(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone (PubChem CID 104850964) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
PubChem CID104850964
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)cc(Br)c2)cc1Br
InChIInChI=1S/C15H12Br2O2/c1-9-5-11(7-12(16)6-9)15(18)10-3-4-14(19-2)13(17)8-10/h3-8H,1-2H3
InChIKeyKKLYGVLSTKPSOE-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
CID 170985664
(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104851039
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(3-bromo-5-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107949805
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 63750525
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 43339877
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 104851011
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone (CID 104850964) is (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone is COc1ccc(C(=O)c2cc(C)cc(Br)c2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone?
The InChIKey is KKLYGVLSTKPSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c1-9-5-11(7-12(16)6-9)15(18)10-3-4-14(19-2)13(17)8-10/h3-8H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone?
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone has a molecular weight of 384.07 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone is sourced from PubChem (CID 104850964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).