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

C24H34O4 — CID 166634856

IUPAC5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one
SMILESCCCC/C=C\CCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1
InChIInChI=1S/C24H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18-22(27)24-21(26)16-19(25)17-23(24)28-20/h5-6,16-18,25-26H,2-4,7-15H2,1H3/b6-5-
InChIKeyCUNLEFFHJFMUOH-WAYWQWQTSA-N
MW386.53 g/mol
LogP6.61
Rot. Bonds13

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

5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one (PubChem CID 166634856) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one
PubChem CID166634856
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one
SMILESCCCC/C=C\CCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1
InChIInChI=1S/C24H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18-22(27)24-21(26)16-19(25)17-23(24)28-20/h5-6,16-18,25-26H,2-4,7-15H2,1H3/b6-5-
InChIKeyCUNLEFFHJFMUOH-WAYWQWQTSA-N
XLogP6.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 56.61
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'}

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Related Compounds

5,7-dihydroxy-6-methyl-2-[(Z)-pentadec-10-enyl]chromen-4-one
CID 166627072
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 11650051
5-[(E)-pentadec-10-enyl]benzene-1,3-diol
CID 101304434
5-tridec-8-enylbenzene-1,3-diol
CID 53436336
5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
CID 146036318
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
4-hydroxy-6-pentylpyran-2-one
CID 54686804
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;octadecanoic acid
CID 25173870
2,4-dihydroxy-6-[(E)-pentadec-8-enyl]benzoic acid
CID 22665100
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;(9Z,11E,13Z)-octadeca-9,11,13-trienoic acid;6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
CID 85469591
3-(5-heptadec-6-enyl-4-hydroxy-2-oxopyran-3-yl)-6-heptadecyl-4-hydroxypyran-2-one
CID 121434143
2-methyl-5-[(Z)-tridec-8-enyl]benzene-1,3-diol
CID 6440454

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one (CID 166634856) is 5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one is CCCC/C=C\CCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1.
What is the InChIKey of 5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one?
The InChIKey is CUNLEFFHJFMUOH-WAYWQWQTSA-N. The full InChI is InChI=1S/C24H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18-22(27)24-21(26)16-19(25)17-23(24)28-20/h5-6,16-18,25-26H,2-4,7-15H2,1H3/b6-5-.
What are the key properties of 5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one?
5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one has a molecular weight of 386.53 g/mol, XLogP of 6.61, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one is sourced from PubChem (CID 166634856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).