7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one

C18H16O6 — CID 44814526

IUPAC7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one
SMILESCOc1cc(CC2COc3c(ccc4c3OCO4)C2=O)ccc1O
InChIInChI=1S/C18H16O6/c1-21-15-7-10(2-4-13(15)19)6-11-8-22-17-12(16(11)20)3-5-14-18(17)24-9-23-14/h2-5,7,11,19H,6,8-9H2,1H3
InChIKeyJZRNHXAMDDUCOE-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.56
Rot. Bonds3

About 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one

7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one (PubChem CID 44814526) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one.

Molecular Properties

Compound Name7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one
PubChem CID44814526
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one
SMILESCOc1cc(CC2COc3c(ccc4c3OCO4)C2=O)ccc1O
InChIInChI=1S/C18H16O6/c1-21-15-7-10(2-4-13(15)19)6-11-8-22-17-12(16(11)20)3-5-14-18(17)24-9-23-14/h2-5,7,11,19H,6,8-9H2,1H3
InChIKeyJZRNHXAMDDUCOE-UHFFFAOYSA-N
XLogP2.56
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-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

7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
CID 71504780
3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 142744862
3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
CID 72957977
6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 69167667
(3S)-3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 139085157
(3R)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,3-dihydrochromen-4-one
CID 638293
5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol
CID 71505337
(3R)-5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one
CID 162921322
3-[(3,4-dihydroxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 73409570
(3R)-3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydrochromene-8-carbaldehyde
CID 637458
3-[(3,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-6-methoxy-2,3-dihydrochromen-4-one
CID 14159191
(3S)-5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 163038741

Frequently Asked Questions

What is the IUPAC name of 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one?
The IUPAC name of 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one (CID 44814526) is 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one.
What is the SMILES notation for 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one?
The canonical SMILES for 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one is COc1cc(CC2COc3c(ccc4c3OCO4)C2=O)ccc1O.
What is the InChIKey of 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one?
The InChIKey is JZRNHXAMDDUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-21-15-7-10(2-4-13(15)19)6-11-8-22-17-12(16(11)20)3-5-14-18(17)24-9-23-14/h2-5,7,11,19H,6,8-9H2,1H3.
What are the key properties of 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one?
7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one has a molecular weight of 328.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one is sourced from PubChem (CID 44814526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).