3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one

C23H24O7 — CID 170983728

IUPAC3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
SMILESCOCOc1cc2occ(-c3cccc(OC)c3)c(=O)c2c2c1CC(O)C(C)(C)O2
InChIInChI=1S/C23H24O7/c1-23(2)19(24)9-15-17(29-12-26-3)10-18-20(22(15)30-23)21(25)16(11-28-18)13-6-5-7-14(8-13)27-4/h5-8,10-11,19,24H,9,12H2,1-4H3
InChIKeyCSISHCOGFWXVOO-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.53
Rot. Bonds5

About 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one

3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one (PubChem CID 170983728) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one.

Molecular Properties

Compound Name3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
PubChem CID170983728
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Name3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
SMILESCOCOc1cc2occ(-c3cccc(OC)c3)c(=O)c2c2c1CC(O)C(C)(C)O2
InChIInChI=1S/C23H24O7/c1-23(2)19(24)9-15-17(29-12-26-3)10-18-20(22(15)30-23)21(25)16(11-28-18)13-6-5-7-14(8-13)27-4/h5-8,10-11,19,24H,9,12H2,1-4H3
InChIKeyCSISHCOGFWXVOO-UHFFFAOYSA-N
XLogP3.53
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one?
The IUPAC name of 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one (CID 170983728) is 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one.
What is the SMILES notation for 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one?
The canonical SMILES for 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one is COCOc1cc2occ(-c3cccc(OC)c3)c(=O)c2c2c1CC(O)C(C)(C)O2.
What is the InChIKey of 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one?
The InChIKey is CSISHCOGFWXVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O7/c1-23(2)19(24)9-15-17(29-12-26-3)10-18-20(22(15)30-23)21(25)16(11-28-18)13-6-5-7-14(8-13)27-4/h5-8,10-11,19,24H,9,12H2,1-4H3.
What are the key properties of 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one?
3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one has a molecular weight of 412.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one is sourced from PubChem (CID 170983728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).