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

C23H18O4 — CID 140540725

IUPAC2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2-c2ccccc2)cc1OC
InChIInChI=1S/C23H18O4/c1-25-19-13-12-16(14-20(19)26-2)23-21(15-8-4-3-5-9-15)22(24)17-10-6-7-11-18(17)27-23/h3-14H,1-2H3
InChIKeyGTRRSENZHMHMJY-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.14
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one (PubChem CID 140540725) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
PubChem CID140540725
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2-c2ccccc2)cc1OC
InChIInChI=1S/C23H18O4/c1-25-19-13-12-16(14-20(19)26-2)23-21(15-8-4-3-5-9-15)22(24)17-10-6-7-11-18(17)27-23/h3-14H,1-2H3
InChIKeyGTRRSENZHMHMJY-UHFFFAOYSA-N
XLogP5.14
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
CID 73346146
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one
CID 10905103
3-(4-chloro-3-methoxyphenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 142639582
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CID 102522457
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
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2-(3,4-dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
CID 46303437
3-iodo-6,7-dimethoxy-2-phenylchromen-4-one
CID 11718442
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311
3-methoxy-2-(2-methoxyphenyl)chromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one (CID 140540725) is 2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one is COc1ccc(-c2oc3ccccc3c(=O)c2-c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one?
The InChIKey is GTRRSENZHMHMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4/c1-25-19-13-12-16(14-20(19)26-2)23-21(15-8-4-3-5-9-15)22(24)17-10-6-7-11-18(17)27-23/h3-14H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one?
2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one has a molecular weight of 358.39 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one is sourced from PubChem (CID 140540725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).