2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one

C29H34O7 — CID 67234546

IUPAC2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one
SMILESCOc1cc(-c2cc(=O)c3c(cc(OC)c4cc(CCCCCCCCCCO)oc43)o2)ccc1O
InChIInChI=1S/C29H34O7/c1-33-25-18-27-28(23(32)17-24(36-27)19-12-13-22(31)26(15-19)34-2)29-21(25)16-20(35-29)11-9-7-5-3-4-6-8-10-14-30/h12-13,15-18,30-31H,3-11,14H2,1-2H3
InChIKeyNGNIVXXNELNMGC-UHFFFAOYSA-N
MW494.58 g/mol
LogP6.58
Rot. Bonds13

About 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one

2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one (PubChem CID 67234546) has the molecular formula C29H34O7 and a molecular weight of 494.58 g/mol. Its IUPAC name is 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one.

Molecular Properties

Compound Name2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one
PubChem CID67234546
Molecular FormulaC29H34O7
Molecular Weight494.58 g/mol
Exact Mass494.23
IUPAC Name2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one
SMILESCOc1cc(-c2cc(=O)c3c(cc(OC)c4cc(CCCCCCCCCCO)oc43)o2)ccc1O
InChIInChI=1S/C29H34O7/c1-33-25-18-27-28(23(32)17-24(36-27)19-12-13-22(31)26(15-19)34-2)29-21(25)16-20(35-29)11-9-7-5-3-4-6-8-10-14-30/h12-13,15-18,30-31H,3-11,14H2,1-2H3
InChIKeyNGNIVXXNELNMGC-UHFFFAOYSA-N
XLogP6.58
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.58
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one?
The IUPAC name of 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one (CID 67234546) is 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one.
What is the SMILES notation for 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one?
The canonical SMILES for 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one is COc1cc(-c2cc(=O)c3c(cc(OC)c4cc(CCCCCCCCCCO)oc43)o2)ccc1O.
What is the InChIKey of 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one?
The InChIKey is NGNIVXXNELNMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O7/c1-33-25-18-27-28(23(32)17-24(36-27)19-12-13-22(31)26(15-19)34-2)29-21(25)16-20(35-29)11-9-7-5-3-4-6-8-10-14-30/h12-13,15-18,30-31H,3-11,14H2,1-2H3.
What are the key properties of 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one?
2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one has a molecular weight of 494.58 g/mol, XLogP of 6.58, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-hydroxydecyl)-7-(4-hydroxy-3-methoxyphenyl)-4-methoxyfuro[2,3-f]chromen-9-one is sourced from PubChem (CID 67234546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).