7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one

C23H26O6 — CID 123768605

IUPAC7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
SMILESCCCCCCc1ccc2c(=O)c(O)c(-c3cc(OC)c(O)c(OC)c3)oc2c1
InChIInChI=1S/C23H26O6/c1-4-5-6-7-8-14-9-10-16-17(11-14)29-23(22(26)20(16)24)15-12-18(27-2)21(25)19(13-15)28-3/h9-13,25-26H,4-8H2,1-3H3
InChIKeyDYBDNXBXBUOTNL-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.01
Rot. Bonds8

About 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one

7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one (PubChem CID 123768605) has the molecular formula C23H26O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
PubChem CID123768605
Molecular FormulaC23H26O6
Molecular Weight398.46 g/mol
Exact Mass398.17
IUPAC Name7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
SMILESCCCCCCc1ccc2c(=O)c(O)c(-c3cc(OC)c(O)c(OC)c3)oc2c1
InChIInChI=1S/C23H26O6/c1-4-5-6-7-8-14-9-10-16-17(11-14)29-23(22(26)20(16)24)15-12-18(27-2)21(25)19(13-15)28-3/h9-13,25-26H,4-8H2,1-3H3
InChIKeyDYBDNXBXBUOTNL-UHFFFAOYSA-N
XLogP5.01
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
3-butoxy-7-(4-methylpentyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 89140119
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
3-hydroxy-2-(4-hydroxy-3-methylphenyl)-6-tridecylchromen-4-one
CID 58307678
7-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 66573997
2,6-dimethoxy-4-pentylphenol
CID 22625510
3,5,6-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 141478271
2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 66573994
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 56946608
3-hydroxy-7-[(3E)-8-methylnona-3,7-dienyl]-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 59539942
6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 66573995
7-decyl-3-hydroxy-2-(3,4,5-trihydroxyphenyl)thiochromen-4-one
CID 59539927

Frequently Asked Questions

What is the IUPAC name of 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one (CID 123768605) is 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one is CCCCCCc1ccc2c(=O)c(O)c(-c3cc(OC)c(O)c(OC)c3)oc2c1.
What is the InChIKey of 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one?
The InChIKey is DYBDNXBXBUOTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O6/c1-4-5-6-7-8-14-9-10-16-17(11-14)29-23(22(26)20(16)24)15-12-18(27-2)21(25)19(13-15)28-3/h9-13,25-26H,4-8H2,1-3H3.
What are the key properties of 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one?
7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one has a molecular weight of 398.46 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 123768605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).