(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone

C15H13BrO2 — CID 43379600

IUPAC(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2Br)cc1C
InChIInChI=1S/C15H13BrO2/c1-10-9-11(7-8-14(10)18-2)15(17)12-5-3-4-6-13(12)16/h3-9H,1-2H3
InChIKeyOXRGWJSLSGRBTA-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.00
Rot. Bonds3

About (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone

(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 43379600) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID43379600
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2Br)cc1C
InChIInChI=1S/C15H13BrO2/c1-10-9-11(7-8-14(10)18-2)15(17)12-5-3-4-6-13(12)16/h3-9H,1-2H3
InChIKeyOXRGWJSLSGRBTA-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114558708
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107874154
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone (CID 43379600) is (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2ccccc2Br)cc1C.
What is the InChIKey of (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is OXRGWJSLSGRBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-10-9-11(7-8-14(10)18-2)15(17)12-5-3-4-6-13(12)16/h3-9H,1-2H3.
What are the key properties of (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone?
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 305.17 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 43379600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).