3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one

C30H20O4 — CID 14916297

IUPAC3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c2oc(-c3ccccc3)c(-c3ccc(O)cc3)c12
InChIInChI=1S/C30H20O4/c1-18-16-24-28(23(17-25(32)33-24)19-8-4-2-5-9-19)30-26(18)27(20-12-14-22(31)15-13-20)29(34-30)21-10-6-3-7-11-21/h2-17,31H,1H3
InChIKeyJJBMUYOLLQIWNQ-UHFFFAOYSA-N
MW444.49 g/mol
LogP7.55
Rot. Bonds3

About 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one

3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one (PubChem CID 14916297) has the molecular formula C30H20O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one
PubChem CID14916297
Molecular FormulaC30H20O4
Molecular Weight444.49 g/mol
Exact Mass444.14
IUPAC Name3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c2oc(-c3ccccc3)c(-c3ccc(O)cc3)c12
InChIInChI=1S/C30H20O4/c1-18-16-24-28(23(17-25(32)33-24)19-8-4-2-5-9-19)30-26(18)27(20-12-14-22(31)15-13-20)29(34-30)21-10-6-3-7-11-21/h2-17,31H,1H3
InChIKeyJJBMUYOLLQIWNQ-UHFFFAOYSA-N
XLogP7.55
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one?
The IUPAC name of 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one (CID 14916297) is 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one is Cc1cc2oc(=O)cc(-c3ccccc3)c2c2oc(-c3ccccc3)c(-c3ccc(O)cc3)c12.
What is the InChIKey of 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one?
The InChIKey is JJBMUYOLLQIWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O4/c1-18-16-24-28(23(17-25(32)33-24)19-8-4-2-5-9-19)30-26(18)27(20-12-14-22(31)15-13-20)29(34-30)21-10-6-3-7-11-21/h2-17,31H,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one?
3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one has a molecular weight of 444.49 g/mol, XLogP of 7.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one is sourced from PubChem (CID 14916297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).