8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

C21H22O5 — CID 175366050

IUPAC8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3c(O)cc(OC)c(CC4CC4)c3O2)cc1
InChIInChI=1S/C21H22O5/c1-24-14-7-5-13(6-8-14)18-10-16(22)20-17(23)11-19(25-2)15(21(20)26-18)9-12-3-4-12/h5-8,11-12,18,23H,3-4,9-10H2,1-2H3
InChIKeyWUPREJSFZPOALD-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.07
Rot. Bonds5

About 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 175366050) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID175366050
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3c(O)cc(OC)c(CC4CC4)c3O2)cc1
InChIInChI=1S/C21H22O5/c1-24-14-7-5-13(6-8-14)18-10-16(22)20-17(23)11-19(25-2)15(21(20)26-18)9-12-3-4-12/h5-8,11-12,18,23H,3-4,9-10H2,1-2H3
InChIKeyWUPREJSFZPOALD-UHFFFAOYSA-N
XLogP4.07
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 42608075
(2S)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 101217340
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 42608077
(2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 101480805
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 14259000
(2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163019065
(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
CID 141392806
5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12041830
(2R)-5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 162922021
2-(4-bromophenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 166172034
(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162807777
(2S)-8-[5-[(2S)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163039099

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 175366050) is 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc(C2CC(=O)c3c(O)cc(OC)c(CC4CC4)c3O2)cc1.
What is the InChIKey of 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is WUPREJSFZPOALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O5/c1-24-14-7-5-13(6-8-14)18-10-16(22)20-17(23)11-19(25-2)15(21(20)26-18)9-12-3-4-12/h5-8,11-12,18,23H,3-4,9-10H2,1-2H3.
What are the key properties of 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 354.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 175366050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).