(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone

C15H12Br2O2 — CID 107976766

IUPAC(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-9-3-4-14(19-2)13(5-9)15(18)10-6-11(16)8-12(17)7-10/h3-8H,1-2H3
InChIKeyKJHYVEAOPWCXIY-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.76
Rot. Bonds3

About (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone

(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 107976766) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID107976766
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-9-3-4-14(19-2)13(5-9)15(18)10-6-11(16)8-12(17)7-10/h3-8H,1-2H3
InChIKeyKJHYVEAOPWCXIY-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-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114973441
(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 104851011
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone (CID 107976766) is (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is KJHYVEAOPWCXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c1-9-3-4-14(19-2)13(5-9)15(18)10-6-11(16)8-12(17)7-10/h3-8H,1-2H3.
What are the key properties of (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone?
(3,5-dibromophenyl)-(2-methoxy-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 (3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 107976766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).