4-(3-phenyl-4H-chromen-2-yl)phenol

C21H16O2 — CID 14783131

IUPAC4-(3-phenyl-4H-chromen-2-yl)phenol
SMILESOc1ccc(C2=C(c3ccccc3)Cc3ccccc3O2)cc1
InChIInChI=1S/C21H16O2/c22-18-12-10-16(11-13-18)21-19(15-6-2-1-3-7-15)14-17-8-4-5-9-20(17)23-21/h1-13,22H,14H2
InChIKeyZVVWCUYMMPSAFB-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.90
Rot. Bonds2

About 4-(3-phenyl-4H-chromen-2-yl)phenol

4-(3-phenyl-4H-chromen-2-yl)phenol (PubChem CID 14783131) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(3-phenyl-4H-chromen-2-yl)phenol.

Molecular Properties

Compound Name4-(3-phenyl-4H-chromen-2-yl)phenol
PubChem CID14783131
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name4-(3-phenyl-4H-chromen-2-yl)phenol
SMILESOc1ccc(C2=C(c3ccccc3)Cc3ccccc3O2)cc1
InChIInChI=1S/C21H16O2/c22-18-12-10-16(11-13-18)21-19(15-6-2-1-3-7-15)14-17-8-4-5-9-20(17)23-21/h1-13,22H,14H2
InChIKeyZVVWCUYMMPSAFB-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-4H-chromen-2-yl)phenol?
The IUPAC name of 4-(3-phenyl-4H-chromen-2-yl)phenol (CID 14783131) is 4-(3-phenyl-4H-chromen-2-yl)phenol.
What is the SMILES notation for 4-(3-phenyl-4H-chromen-2-yl)phenol?
The canonical SMILES for 4-(3-phenyl-4H-chromen-2-yl)phenol is Oc1ccc(C2=C(c3ccccc3)Cc3ccccc3O2)cc1.
What is the InChIKey of 4-(3-phenyl-4H-chromen-2-yl)phenol?
The InChIKey is ZVVWCUYMMPSAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-18-12-10-16(11-13-18)21-19(15-6-2-1-3-7-15)14-17-8-4-5-9-20(17)23-21/h1-13,22H,14H2.
What are the key properties of 4-(3-phenyl-4H-chromen-2-yl)phenol?
4-(3-phenyl-4H-chromen-2-yl)phenol has a molecular weight of 300.36 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-4H-chromen-2-yl)phenol is sourced from PubChem (CID 14783131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).