8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one

C23H20O5 — CID 11047051

IUPAC8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1ccc(C2Cc3cccc(O)c3C(=O)O2)cc1OCc1ccccc1
InChIInChI=1S/C23H20O5/c1-26-19-11-10-16(12-21(19)27-14-15-6-3-2-4-7-15)20-13-17-8-5-9-18(24)22(17)23(25)28-20/h2-12,20,24H,13-14H2,1H3
InChIKeyRYDPHYUWUYGMSX-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.43
Rot. Bonds5

About 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one

8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one (PubChem CID 11047051) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one
PubChem CID11047051
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1ccc(C2Cc3cccc(O)c3C(=O)O2)cc1OCc1ccccc1
InChIInChI=1S/C23H20O5/c1-26-19-11-10-16(12-21(19)27-14-15-6-3-2-4-7-15)20-13-17-8-5-9-18(24)22(17)23(25)28-20/h2-12,20,24H,13-14H2,1H3
InChIKeyRYDPHYUWUYGMSX-UHFFFAOYSA-N
XLogP4.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-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

(3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10493415
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146393584
(3S)-3-(3-hydroxy-4-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
CID 10671147
3-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
CID 85260359
2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol
CID 86220883
2-(3,4-dimethoxyphenyl)-5,8-bis(phenylmethoxy)-2,3-dihydrothiochromen-4-one
CID 10529757
(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one
CID 102187851
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 90976243
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188683
(2R)-2-(3-hydroxy-4-methoxyphenyl)-4-(1-phenylethylimino)-7-phenylmethoxy-2,3-dihydrochromen-5-ol
CID 171379420
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one (CID 11047051) is 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one is COc1ccc(C2Cc3cccc(O)c3C(=O)O2)cc1OCc1ccccc1.
What is the InChIKey of 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one?
The InChIKey is RYDPHYUWUYGMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-26-19-11-10-16(12-21(19)27-14-15-6-3-2-4-7-15)20-13-17-8-5-9-18(24)22(17)23(25)28-20/h2-12,20,24H,13-14H2,1H3.
What are the key properties of 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one?
8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one has a molecular weight of 376.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 11047051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).