5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one

C25H36O4 — CID 166627072

IUPAC5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one
SMILESCCCC/C=C\CCCCCCCCCc1cc(=O)c2c(O)c(C)c(O)cc2o1
InChIInChI=1S/C25H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-22(27)24-23(29-20)18-21(26)19(2)25(24)28/h6-7,17-18,26,28H,3-5,8-16H2,1-2H3/b7-6-
InChIKeyJQUCMTMSYVVJCA-SREVYHEPSA-N
MW400.56 g/mol
LogP6.92
Rot. Bonds13

About 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one

5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one (PubChem CID 166627072) has the molecular formula C25H36O4 and a molecular weight of 400.56 g/mol. Its IUPAC name is 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one
PubChem CID166627072
Molecular FormulaC25H36O4
Molecular Weight400.56 g/mol
Exact Mass400.26
IUPAC Name5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one
SMILESCCCC/C=C\CCCCCCCCCc1cc(=O)c2c(O)c(C)c(O)cc2o1
InChIInChI=1S/C25H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-22(27)24-23(29-20)18-21(26)19(2)25(24)28/h6-7,17-18,26,28H,3-5,8-16H2,1-2H3/b7-6-
InChIKeyJQUCMTMSYVVJCA-SREVYHEPSA-N
XLogP6.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]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

5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one
CID 166634856
2-methyl-5-[(Z)-tridec-8-enyl]benzene-1,3-diol
CID 6440454
2-heptadecyl-5,7-dihydroxy-6,8-dimethylchromen-4-one
CID 135353761
5,7-dihydroxy-2,6-dimethylchromen-4-one
CID 5036604
2-methyl-5-[(8Z,11E)-pentadeca-8,11-dienyl]benzene-1,3-diol
CID 131752491
3-(5-heptadec-6-enyl-4-hydroxy-2-oxopyran-3-yl)-6-heptadecyl-4-hydroxypyran-2-one
CID 121434143
5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 15838821
5-[(E)-pentadec-10-enyl]benzene-1,3-diol
CID 101304434
5-tridec-8-enylbenzene-1,3-diol
CID 53436336
3,6-dihexyl-4-hydroxypyran-2-one
CID 54690712
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
2-hexadec-5-enyl-3-methylbenzene-1,4-diol
CID 67637176

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one (CID 166627072) is 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one is CCCC/C=C\CCCCCCCCCc1cc(=O)c2c(O)c(C)c(O)cc2o1.
What is the InChIKey of 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one?
The InChIKey is JQUCMTMSYVVJCA-SREVYHEPSA-N. The full InChI is InChI=1S/C25H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-22(27)24-23(29-20)18-21(26)19(2)25(24)28/h6-7,17-18,26,28H,3-5,8-16H2,1-2H3/b7-6-.
What are the key properties of 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one?
5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one has a molecular weight of 400.56 g/mol, XLogP of 6.92, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one is sourced from PubChem (CID 166627072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).