7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one

C27H34O5 — CID 132568297

IUPAC7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
SMILESCCCCCCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCC)cc3o2)cc1
InChIInChI=1S/C27H34O5/c1-3-5-7-9-15-30-21-13-11-20(12-14-21)25-19-24(29)27-23(28)17-22(18-26(27)32-25)31-16-10-8-6-4-2/h11-14,17-19,28H,3-10,15-16H2,1-2H3
InChIKeyHONZCSRSWVMZRE-UHFFFAOYSA-N
MW438.56 g/mol
LogP7.08
Rot. Bonds13

About 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one

7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one (PubChem CID 132568297) has the molecular formula C27H34O5 and a molecular weight of 438.56 g/mol. Its IUPAC name is 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one.

Molecular Properties

Compound Name7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
PubChem CID132568297
Molecular FormulaC27H34O5
Molecular Weight438.56 g/mol
Exact Mass438.24
IUPAC Name7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
SMILESCCCCCCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCC)cc3o2)cc1
InChIInChI=1S/C27H34O5/c1-3-5-7-9-15-30-21-13-11-20(12-14-21)25-19-24(29)27-23(28)17-22(18-26(27)32-25)31-16-10-8-6-4-2/h11-14,17-19,28H,3-10,15-16H2,1-2H3
InChIKeyHONZCSRSWVMZRE-UHFFFAOYSA-N
XLogP7.08
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 162668963
5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007
sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate
CID 177001497
2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
CID 46231884
5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one
CID 86582075
5-hydroxy-7-[(1-octadecyltriazol-4-yl)methoxy]-2-phenylchromen-4-one
CID 155295029
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;octadecanoic acid
CID 25173870
[4-(5-hydroxy-4-oxo-7-propanoyloxychromen-2-yl)phenyl] propanoate
CID 146662894

Frequently Asked Questions

What is the IUPAC name of 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one?
The IUPAC name of 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one (CID 132568297) is 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one.
What is the SMILES notation for 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one?
The canonical SMILES for 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one is CCCCCCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCC)cc3o2)cc1.
What is the InChIKey of 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one?
The InChIKey is HONZCSRSWVMZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O5/c1-3-5-7-9-15-30-21-13-11-20(12-14-21)25-19-24(29)27-23(28)17-22(18-26(27)32-25)31-16-10-8-6-4-2/h11-14,17-19,28H,3-10,15-16H2,1-2H3.
What are the key properties of 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one?
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one has a molecular weight of 438.56 g/mol, XLogP of 7.08, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one is sourced from PubChem (CID 132568297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).