5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one

C21H22O6 — CID 164597629

IUPAC5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccc(CCCCCO)cc3)oc12
InChIInChI=1S/C21H22O6/c1-26-20-17(25)11-15(23)19-16(24)12-18(27-21(19)20)14-8-6-13(7-9-14)5-3-2-4-10-22/h6-9,11-12,22-23,25H,2-5,10H2,1H3
InChIKeyPLWKFUGBWHONKX-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.58
Rot. Bonds7

About 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one

5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one (PubChem CID 164597629) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one
PubChem CID164597629
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccc(CCCCCO)cc3)oc12
InChIInChI=1S/C21H22O6/c1-26-20-17(25)11-15(23)19-16(24)12-18(27-21(19)20)14-8-6-13(7-9-14)5-3-2-4-10-22/h6-9,11-12,22-23,25H,2-5,10H2,1H3
InChIKeyPLWKFUGBWHONKX-UHFFFAOYSA-N
XLogP3.58
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-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

2-[4-(5-bromopentyl)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one;ethane;methane
CID 164861386
2-[4-[5-(1-adamantylmethylamino)pentyl]phenyl]-5,7-dihydroxy-8-methoxychromen-4-one
CID 164861388
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
7-hydroxy-2-(4-hydroxyphenyl)-5-(3-hydroxypropoxy)-6-methoxy-8-(2-phenylethyl)chromen-4-one
CID 162965681
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one
CID 67234009
2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one
CID 67234546
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 158483004
2-[4-(4-aminobutyl)phenyl]-5,7-dihydroxychromen-4-one
CID 71600014

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one (CID 164597629) is 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one is COc1c(O)cc(O)c2c(=O)cc(-c3ccc(CCCCCO)cc3)oc12.
What is the InChIKey of 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one?
The InChIKey is PLWKFUGBWHONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O6/c1-26-20-17(25)11-15(23)19-16(24)12-18(27-21(19)20)14-8-6-13(7-9-14)5-3-2-4-10-22/h6-9,11-12,22-23,25H,2-5,10H2,1H3.
What are the key properties of 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one?
5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one has a molecular weight of 370.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one is sourced from PubChem (CID 164597629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).