6-phenyl-3H-1-benzofuran-2-one

C14H10O2 — CID 10219952

IUPAC6-phenyl-3H-1-benzofuran-2-one
SMILESO=C1Cc2ccc(-c3ccccc3)cc2O1
InChIInChI=1S/C14H10O2/c15-14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDWCQRXDLCGREEE-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.82
Rot. Bonds1

About 6-phenyl-3H-1-benzofuran-2-one

6-phenyl-3H-1-benzofuran-2-one (PubChem CID 10219952) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-phenyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name6-phenyl-3H-1-benzofuran-2-one
PubChem CID10219952
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name6-phenyl-3H-1-benzofuran-2-one
SMILESO=C1Cc2ccc(-c3ccccc3)cc2O1
InChIInChI=1S/C14H10O2/c15-14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDWCQRXDLCGREEE-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-phenyl-3H-1-benzofuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carvacryl acetate
CID 80792
Thymol acetate
CID 68252
p-CRESYL PHENYLACETATE
CID 60997
3,6-Dimethyl-2(3H)-benzofuranone
CID 9793908
2(3H)-Benzofuranone
CID 68382
3-Tolyl phenylacetate
CID 67146
3-Phenylcoumarin
CID 70385
Cresentyl
CID 69193
Calycin
CID 54694371
2-Phenoxyphenylacetic acid
CID 141222
3-Phenyl-2-benzofuranone
CID 226652
3-Acetylphenyl benzoate
CID 266111

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3H-1-benzofuran-2-one?
The IUPAC name of 6-phenyl-3H-1-benzofuran-2-one (CID 10219952) is 6-phenyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 6-phenyl-3H-1-benzofuran-2-one?
The canonical SMILES for 6-phenyl-3H-1-benzofuran-2-one is O=C1Cc2ccc(-c3ccccc3)cc2O1.
What is the InChIKey of 6-phenyl-3H-1-benzofuran-2-one?
The InChIKey is DWCQRXDLCGREEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 6-phenyl-3H-1-benzofuran-2-one?
6-phenyl-3H-1-benzofuran-2-one has a molecular weight of 210.23 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 10219952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).