2-(4-bromophenyl)-7-methoxychromen-4-one

C16H11BrO3 — CID 25032618

IUPAC2-(4-bromophenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccc(Br)cc3)oc2c1
InChIInChI=1S/C16H11BrO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyPRVQAIZRXWAFKL-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.23
Rot. Bonds2

About 2-(4-bromophenyl)-7-methoxychromen-4-one

2-(4-bromophenyl)-7-methoxychromen-4-one (PubChem CID 25032618) has the molecular formula C16H11BrO3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-7-methoxychromen-4-one
PubChem CID25032618
Molecular FormulaC16H11BrO3
Molecular Weight331.17 g/mol
Exact Mass329.99
IUPAC Name2-(4-bromophenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccc(Br)cc3)oc2c1
InChIInChI=1S/C16H11BrO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyPRVQAIZRXWAFKL-UHFFFAOYSA-N
XLogP4.23
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-3-yl)-7-methoxychromen-4-one
CID 127033457
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one
CID 150348000
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-(4-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
CID 53487406
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-ethynyl-4-(7-methoxy-4-oxochromen-2-yl)benzonitrile
CID 162359885
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
2-ethyl-7-methoxychromen-4-one
CID 10013150
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-7-methoxychromen-4-one?
The IUPAC name of 2-(4-bromophenyl)-7-methoxychromen-4-one (CID 25032618) is 2-(4-bromophenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-7-methoxychromen-4-one?
The canonical SMILES for 2-(4-bromophenyl)-7-methoxychromen-4-one is COc1ccc2c(=O)cc(-c3ccc(Br)cc3)oc2c1.
What is the InChIKey of 2-(4-bromophenyl)-7-methoxychromen-4-one?
The InChIKey is PRVQAIZRXWAFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9H,1H3.
What are the key properties of 2-(4-bromophenyl)-7-methoxychromen-4-one?
2-(4-bromophenyl)-7-methoxychromen-4-one has a molecular weight of 331.17 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 25032618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).