(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone

C16H15BrO3 — CID 62505963

IUPAC(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)ccc2OC)c(Br)c1
InChIInChI=1S/C16H15BrO3/c1-10-4-7-15(20-3)13(8-10)16(18)12-6-5-11(19-2)9-14(12)17/h4-9H,1-3H3
InChIKeyNGQOVSOXAAQSIJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.01
Rot. Bonds4

About (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone

(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 62505963) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID62505963
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)ccc2OC)c(Br)c1
InChIInChI=1S/C16H15BrO3/c1-10-4-7-15(20-3)13(8-10)16(18)12-6-5-11(19-2)9-14(12)17/h4-9H,1-3H3
InChIKeyNGQOVSOXAAQSIJ-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
2-bromo-1-(2-bromo-4-methoxyphenyl)ethanone;2-bromo-1-(2-bromo-4-methylphenyl)ethanone
CID 22121484
(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
CID 116591846
[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone
CID 134514613
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 104784994
(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114973441
(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 63797545
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone (CID 62505963) is (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C(=O)c2cc(C)ccc2OC)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is NGQOVSOXAAQSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-10-4-7-15(20-3)13(8-10)16(18)12-6-5-11(19-2)9-14(12)17/h4-9H,1-3H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone?
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 335.20 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 62505963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).