(3S)-3-phenyl-3H-2-benzofuran-1-one

C14H10O2 — CID 725855

IUPAC(3S)-3-phenyl-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H/t13-/m0/s1
InChIKeySQFMIHCARVMICF-ZDUSSCGKSA-N
MW210.23 g/mol
LogP2.95
Rot. Bonds1

About (3S)-3-phenyl-3H-2-benzofuran-1-one

(3S)-3-phenyl-3H-2-benzofuran-1-one (PubChem CID 725855) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is (3S)-3-phenyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-phenyl-3H-2-benzofuran-1-one
PubChem CID725855
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name(3S)-3-phenyl-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H/t13-/m0/s1
InChIKeySQFMIHCARVMICF-ZDUSSCGKSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-phenyl-3H-2-benzofuran-1-one (CID 725855) is (3S)-3-phenyl-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-phenyl-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-phenyl-3H-2-benzofuran-1-one is O=C1O[C@@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-3-phenyl-3H-2-benzofuran-1-one?
The InChIKey is SQFMIHCARVMICF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H/t13-/m0/s1.
What are the key properties of (3S)-3-phenyl-3H-2-benzofuran-1-one?
(3S)-3-phenyl-3H-2-benzofuran-1-one has a molecular weight of 210.23 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 725855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).