5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one

C20H20O5 — CID 171393850

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one
SMILESCCC/C=C/C1(c2ccc(O)cc2)CC(=O)c2c(O)cc(O)cc2O1
InChIInChI=1S/C20H20O5/c1-2-3-4-9-20(13-5-7-14(21)8-6-13)12-17(24)19-16(23)10-15(22)11-18(19)25-20/h4-11,21-23H,2-3,12H2,1H3/b9-4+
InChIKeyCHXNWBKIMSDIQP-RUDMXATFSA-N
MW340.38 g/mol
LogP4.02
Rot. Bonds4

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one (PubChem CID 171393850) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one
PubChem CID171393850
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one
SMILESCCC/C=C/C1(c2ccc(O)cc2)CC(=O)c2c(O)cc(O)cc2O1
InChIInChI=1S/C20H20O5/c1-2-3-4-9-20(13-5-7-14(21)8-6-13)12-17(24)19-16(23)10-15(22)11-18(19)25-20/h4-11,21-23H,2-3,12H2,1H3/b9-4+
InChIKeyCHXNWBKIMSDIQP-RUDMXATFSA-N
XLogP4.02
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-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

2,2-diethyl-5,7-dihydroxy-3H-chromen-4-one
CID 25094513
2-(dichloromethyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3H-chromen-4-one
CID 129013800
(2S)-2,5,7-trihydroxy-2-pentadecyl-3H-chromen-4-one
CID 162868592
(2R)-5,7-dihydroxy-2-methyl-2-[(2S)-5-oxooxolan-2-yl]-3H-chromen-4-one
CID 122226368
5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
CID 162376835
7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one
CID 134458176
3-hepta-1,3-dienyl-6,8-dihydroxy-3,4-dihydroisochromen-1-one
CID 162814302
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
CID 101110303
benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 143992142
(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
CID 150532948

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one (CID 171393850) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one is CCC/C=C/C1(c2ccc(O)cc2)CC(=O)c2c(O)cc(O)cc2O1.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one?
The InChIKey is CHXNWBKIMSDIQP-RUDMXATFSA-N. The full InChI is InChI=1S/C20H20O5/c1-2-3-4-9-20(13-5-7-14(21)8-6-13)12-17(24)19-16(23)10-15(22)11-18(19)25-20/h4-11,21-23H,2-3,12H2,1H3/b9-4+.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one has a molecular weight of 340.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-2-[(E)-pent-1-enyl]-3H-chromen-4-one is sourced from PubChem (CID 171393850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).