7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one

C32H40O7 — CID 67234009

IUPAC7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one
SMILESCOc1cc(-c2cc(=O)c3c(cc(OC)c4cc(CCCCCCCCCCCCCO)oc43)o2)ccc1O
InChIInChI=1S/C32H40O7/c1-36-28-21-30-31(26(35)20-27(39-30)22-15-16-25(34)29(18-22)37-2)32-24(28)19-23(38-32)14-12-10-8-6-4-3-5-7-9-11-13-17-33/h15-16,18-21,33-34H,3-14,17H2,1-2H3
InChIKeyGKJSNMLRWQDACU-UHFFFAOYSA-N
MW536.67 g/mol
LogP7.75
Rot. Bonds16

About 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one

7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one (PubChem CID 67234009) has the molecular formula C32H40O7 and a molecular weight of 536.67 g/mol. Its IUPAC name is 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one.

Molecular Properties

Compound Name7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one
PubChem CID67234009
Molecular FormulaC32H40O7
Molecular Weight536.67 g/mol
Exact Mass536.28
IUPAC Name7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one
SMILESCOc1cc(-c2cc(=O)c3c(cc(OC)c4cc(CCCCCCCCCCCCCO)oc43)o2)ccc1O
InChIInChI=1S/C32H40O7/c1-36-28-21-30-31(26(35)20-27(39-30)22-15-16-25(34)29(18-22)37-2)32-24(28)19-23(38-32)14-12-10-8-6-4-3-5-7-9-11-13-17-33/h15-16,18-21,33-34H,3-14,17H2,1-2H3
InChIKeyGKJSNMLRWQDACU-UHFFFAOYSA-N
XLogP7.75
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 57.75
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 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one?
The IUPAC name of 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one (CID 67234009) is 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one.
What is the SMILES notation for 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one?
The canonical SMILES for 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one is COc1cc(-c2cc(=O)c3c(cc(OC)c4cc(CCCCCCCCCCCCCO)oc43)o2)ccc1O.
What is the InChIKey of 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one?
The InChIKey is GKJSNMLRWQDACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O7/c1-36-28-21-30-31(26(35)20-27(39-30)22-15-16-25(34)29(18-22)37-2)32-24(28)19-23(38-32)14-12-10-8-6-4-3-5-7-9-11-13-17-33/h15-16,18-21,33-34H,3-14,17H2,1-2H3.
What are the key properties of 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one?
7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one has a molecular weight of 536.67 g/mol, XLogP of 7.75, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxy-3-methoxyphenyl)-2-(13-hydroxytridecyl)-4-methoxyfuro[2,3-f]chromen-9-one is sourced from PubChem (CID 67234009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).