2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol

C21H16O4 — CID 14751407

IUPAC2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESOc1ccc(C2=Cc3ccc(O)cc3OC2c2ccc(O)cc2)cc1
InChIInChI=1S/C21H16O4/c22-16-6-1-13(2-7-16)19-11-15-5-10-18(24)12-20(15)25-21(19)14-3-8-17(23)9-4-14/h1-12,21-24H
InChIKeyIZPZSLYHQNABBJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.48
Rot. Bonds2

About 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol

2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol (PubChem CID 14751407) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol
PubChem CID14751407
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESOc1ccc(C2=Cc3ccc(O)cc3OC2c2ccc(O)cc2)cc1
InChIInChI=1S/C21H16O4/c22-16-6-1-13(2-7-16)19-11-15-5-10-18(24)12-20(15)25-21(19)14-3-8-17(23)9-4-14/h1-12,21-24H
InChIKeyIZPZSLYHQNABBJ-UHFFFAOYSA-N
XLogP4.48
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol?
The IUPAC name of 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol (CID 14751407) is 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol.
What is the SMILES notation for 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol?
The canonical SMILES for 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol is Oc1ccc(C2=Cc3ccc(O)cc3OC2c2ccc(O)cc2)cc1.
What is the InChIKey of 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol?
The InChIKey is IZPZSLYHQNABBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c22-16-6-1-13(2-7-16)19-11-15-5-10-18(24)12-20(15)25-21(19)14-3-8-17(23)9-4-14/h1-12,21-24H.
What are the key properties of 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol?
2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol has a molecular weight of 332.36 g/mol, XLogP of 4.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol is sourced from PubChem (CID 14751407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).