(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone

C16H15BrO3 — CID 43161114

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C16H15BrO3/c1-10-5-4-6-11(7-10)16(18)12-8-14(19-2)15(20-3)9-13(12)17/h4-9H,1-3H3
InChIKeyVTOZDOJXMWABCN-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.01
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone

(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone (PubChem CID 43161114) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
PubChem CID43161114
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C16H15BrO3/c1-10-5-4-6-11(7-10)16(18)12-8-14(19-2)15(20-3)9-13(12)17/h4-9H,1-3H3
InChIKeyVTOZDOJXMWABCN-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-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
2-methoxy-5-(3-methylbenzoyl)benzoic acid
CID 22917219
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanone
CID 43340554
bis(3-methylphenyl)methanone
CID 17848
[4-bromo-2-(2,5-dimethoxyphenyl)phenyl]-(3-methylphenyl)methanone
CID 100985241
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone
CID 43338956
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide
CID 3556307
(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463104

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone (CID 43161114) is (2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone is COc1cc(Br)c(C(=O)c2cccc(C)c2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone?
The InChIKey is VTOZDOJXMWABCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-10-5-4-6-11(7-10)16(18)12-8-14(19-2)15(20-3)9-13(12)17/h4-9H,1-3H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone?
(2-bromo-4,5-dimethoxyphenyl)-(3-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-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 43161114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).