7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one

C27H30O4 — CID 11811829

IUPAC7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one
SMILESC=CCCCCOc1ccc(-c2coc3cc(OCCCCC=C)ccc3c2=O)cc1
InChIInChI=1S/C27H30O4/c1-3-5-7-9-17-29-22-13-11-21(12-14-22)25-20-31-26-19-23(15-16-24(26)27(25)28)30-18-10-8-6-4-2/h3-4,11-16,19-20H,1-2,5-10,17-18H2
InChIKeyJBZQRDUSEKWOCB-UHFFFAOYSA-N
MW418.53 g/mol
LogP6.93
Rot. Bonds13

About 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one

7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one (PubChem CID 11811829) has the molecular formula C27H30O4 and a molecular weight of 418.53 g/mol. Its IUPAC name is 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one
PubChem CID11811829
Molecular FormulaC27H30O4
Molecular Weight418.53 g/mol
Exact Mass418.21
IUPAC Name7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one
SMILESC=CCCCCOc1ccc(-c2coc3cc(OCCCCC=C)ccc3c2=O)cc1
InChIInChI=1S/C27H30O4/c1-3-5-7-9-17-29-22-13-11-21(12-14-22)25-20-31-26-19-23(15-16-24(26)27(25)28)30-18-10-8-6-4-2/h3-4,11-16,19-20H,1-2,5-10,17-18H2
InChIKeyJBZQRDUSEKWOCB-UHFFFAOYSA-N
XLogP6.93
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 56.93
H-Bond Donors ≤ 50
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

7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
CID 10925737
7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
CID 71698611
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
[3-(4-decoxyphenyl)-4-oxochromen-7-yl] decanoate
CID 100957035
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
3-(4-chlorophenyl)-7-[4-[2-(dimethylamino)ethyl-methylamino]butoxy]chromen-4-one;dihydrochloride
CID 168920338
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179

Frequently Asked Questions

What is the IUPAC name of 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one?
The IUPAC name of 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one (CID 11811829) is 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one?
The canonical SMILES for 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one is C=CCCCCOc1ccc(-c2coc3cc(OCCCCC=C)ccc3c2=O)cc1.
What is the InChIKey of 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one?
The InChIKey is JBZQRDUSEKWOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O4/c1-3-5-7-9-17-29-22-13-11-21(12-14-22)25-20-31-26-19-23(15-16-24(26)27(25)28)30-18-10-8-6-4-2/h3-4,11-16,19-20H,1-2,5-10,17-18H2.
What are the key properties of 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one?
7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one has a molecular weight of 418.53 g/mol, XLogP of 6.93, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one is sourced from PubChem (CID 11811829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).