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

C15H12O3 — CID 1224663

IUPAC(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
SMILESCO[C@@]1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C15H12O3/c1-17-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)18-15/h2-10H,1H3/t15-/m0/s1
InChIKeyWWROZRYLEDOUCU-HNNXBMFYSA-N
MW240.26 g/mol
LogP2.70
Rot. Bonds2

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

(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one (PubChem CID 1224663) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3S)-3-methoxy-3-phenyl-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
PubChem CID1224663
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
SMILESCO[C@@]1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C15H12O3/c1-17-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)18-15/h2-10H,1H3/t15-/m0/s1
InChIKeyWWROZRYLEDOUCU-HNNXBMFYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-methoxy-3-phenyl-2-benzofuran-1-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

3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one
CID 102060867
(3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one
CID 7407836
3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one
CID 2844898
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
3-benzyl-3-methoxy-2-benzofuran-1-one
CID 12637272
3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one
CID 24971517
3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one
CID 13221616
(12aR)-12a-methoxybenzo[c]xanthene-5,7-dione
CID 139091694
3-(nitromethyl)-3-phenyl-2-benzofuran-1-one
CID 177465354
9b-methoxy-2-phenyl-2,3-dihydrobenzo[g][1]benzofuran-5-one
CID 146162479

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-3-phenyl-2-benzofuran-1-one?
The IUPAC name of (3S)-3-methoxy-3-phenyl-2-benzofuran-1-one (CID 1224663) is (3S)-3-methoxy-3-phenyl-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-methoxy-3-phenyl-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-methoxy-3-phenyl-2-benzofuran-1-one is CO[C@@]1(c2ccccc2)OC(=O)c2ccccc21.
What is the InChIKey of (3S)-3-methoxy-3-phenyl-2-benzofuran-1-one?
The InChIKey is WWROZRYLEDOUCU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12O3/c1-17-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)18-15/h2-10H,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-methoxy-3-phenyl-2-benzofuran-1-one?
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-3-phenyl-2-benzofuran-1-one is sourced from PubChem (CID 1224663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).