(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one

C15H12O2 — CID 99644827

IUPAC(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
SMILESCc1ccc([C@H]2C(=O)Oc3ccccc32)cc1
InChIInChI=1S/C15H12O2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)17-15(14)16/h2-9,14H,1H3/t14-/m1/s1
InChIKeyJLHDBQRTRXHGMN-CQSZACIVSA-N
MW224.26 g/mol
LogP3.05
Rot. Bonds1

About (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one

(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one (PubChem CID 99644827) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
PubChem CID99644827
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
SMILESCc1ccc([C@H]2C(=O)Oc3ccccc32)cc1
InChIInChI=1S/C15H12O2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)17-15(14)16/h2-9,14H,1H3/t14-/m1/s1
InChIKeyJLHDBQRTRXHGMN-CQSZACIVSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069
(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
CID 830700
3-(4-nitrophenyl)-3H-1-benzofuran-2-one
CID 11334299
3,4-diamino-3,4-dihydrochromen-2-one
CID 86031829
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
CID 91371592
ethyl 2-oxo-3H-1-benzofuran-3-carboxylate
CID 12858903
6-tert-butyl-3-phenyl-3H-1-benzofuran-2-one
CID 143068570
(1S,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 7730187
(1R,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 6541116
3-chloro-4-methylidene-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepine
CID 3815652
2-methylpropane;9-phenyl-9H-xanthene
CID 158880886
(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one
CID 877373

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one?
The IUPAC name of (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one (CID 99644827) is (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one.
What is the SMILES notation for (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one?
The canonical SMILES for (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one is Cc1ccc([C@H]2C(=O)Oc3ccccc32)cc1.
What is the InChIKey of (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one?
The InChIKey is JLHDBQRTRXHGMN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12O2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)17-15(14)16/h2-9,14H,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one?
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one has a molecular weight of 224.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one is sourced from PubChem (CID 99644827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).