3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one

C23H24O7 — CID 101137056

IUPAC3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3cc(OC)c4c(c3O)CCC(C)(C)O4)coc2c1
InChIInChI=1S/C23H24O7/c1-23(2)7-6-13-20(24)14(10-18(28-5)22(13)30-23)15-11-29-17-9-12(26-3)8-16(27-4)19(17)21(15)25/h8-11,24H,6-7H2,1-5H3
InChIKeyJYTZBKDJIYKOSR-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.30
Rot. Bonds4

About 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one

3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one (PubChem CID 101137056) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one
PubChem CID101137056
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Name3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3cc(OC)c4c(c3O)CCC(C)(C)O4)coc2c1
InChIInChI=1S/C23H24O7/c1-23(2)7-6-13-20(24)14(10-18(28-5)22(13)30-23)15-11-29-17-9-12(26-3)8-16(27-4)19(17)21(15)25/h8-11,24H,6-7H2,1-5H3
InChIKeyJYTZBKDJIYKOSR-UHFFFAOYSA-N
XLogP4.30
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-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

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one?
The IUPAC name of 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one (CID 101137056) is 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one?
The canonical SMILES for 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(=O)c(-c3cc(OC)c4c(c3O)CCC(C)(C)O4)coc2c1.
What is the InChIKey of 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one?
The InChIKey is JYTZBKDJIYKOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O7/c1-23(2)7-6-13-20(24)14(10-18(28-5)22(13)30-23)15-11-29-17-9-12(26-3)8-16(27-4)19(17)21(15)25/h8-11,24H,6-7H2,1-5H3.
What are the key properties of 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one?
3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one has a molecular weight of 412.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 101137056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).