7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one

C22H24O5 — CID 126659209

IUPAC7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
SMILESC=C(C)C(C)(C)Oc1cc(O)c2c(c1C)OC(c1ccc(O)cc1)CC2=O
InChIInChI=1S/C22H24O5/c1-12(2)22(4,5)27-18-10-16(24)20-17(25)11-19(26-21(20)13(18)3)14-6-8-15(23)9-7-14/h6-10,19,23-24H,1,11H2,2-5H3
InChIKeyLPIUCPOVKILXFA-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.85
Rot. Bonds4

About 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one

7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 126659209) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
PubChem CID126659209
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
SMILESC=C(C)C(C)(C)Oc1cc(O)c2c(c1C)OC(c1ccc(O)cc1)CC2=O
InChIInChI=1S/C22H24O5/c1-12(2)22(4,5)27-18-10-16(24)20-17(25)11-19(26-21(20)13(18)3)14-6-8-15(23)9-7-14/h6-10,19,23-24H,1,11H2,2-5H3
InChIKeyLPIUCPOVKILXFA-UHFFFAOYSA-N
XLogP4.85
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-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)-5,7-dihydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 163187535
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
CID 5316782
(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
CID 141392806
6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 75069473
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
(2S)-5,7-dihydroxy-8-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
CID 147432938
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one
CID 163046373
(2S)-8-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212229
methyl 6-[[5,8-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate
CID 163062723

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one (CID 126659209) is 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one is C=C(C)C(C)(C)Oc1cc(O)c2c(c1C)OC(c1ccc(O)cc1)CC2=O.
What is the InChIKey of 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is LPIUCPOVKILXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5/c1-12(2)22(4,5)27-18-10-16(24)20-17(25)11-19(26-21(20)13(18)3)14-6-8-15(23)9-7-14/h6-10,19,23-24H,1,11H2,2-5H3.
What are the key properties of 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one?
7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one has a molecular weight of 368.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 126659209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).