2-(3,4-dimethoxyphenyl)chromen-4-one

C34H28O8 — CID 158873505

IUPAC2-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC.COc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC
InChIInChI=1S/2C17H14O4/c2*1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h2*3-10H,1-2H3
InChIKeyJCDGIDJQAHZLHV-UHFFFAOYSA-N
MW564.59 g/mol
LogP6.95
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)chromen-4-one

2-(3,4-dimethoxyphenyl)chromen-4-one (PubChem CID 158873505) has the molecular formula C34H28O8 and a molecular weight of 564.59 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)chromen-4-one
PubChem CID158873505
Molecular FormulaC34H28O8
Molecular Weight564.59 g/mol
Exact Mass564.18
IUPAC Name2-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC.COc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC
InChIInChI=1S/2C17H14O4/c2*1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h2*3-10H,1-2H3
InChIKeyJCDGIDJQAHZLHV-UHFFFAOYSA-N
XLogP6.95
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.59
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)chromen-4-one
CID 134910411
2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
CID 102579300
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 72705992
2-(3,4-dimethoxyphenyl)pyrano[2,3-b]pyridin-4-one
CID 53341624
2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 71394280
2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
CID 86059964
2-phenylchromen-4-one
CID 90124083
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772
2-(3,4-dimethoxyphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]chromen-4-one
CID 71765112

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)chromen-4-one (CID 158873505) is 2-(3,4-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC.COc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)chromen-4-one?
The InChIKey is JCDGIDJQAHZLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14O4/c2*1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h2*3-10H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)chromen-4-one?
2-(3,4-dimethoxyphenyl)chromen-4-one has a molecular weight of 564.59 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 158873505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).