5-phenylmethoxy-3H-1-benzofuran-2-one

C15H12O3 — CID 50887902

IUPAC5-phenylmethoxy-3H-1-benzofuran-2-one
SMILESO=C1Cc2cc(OCc3ccccc3)ccc2O1
InChIInChI=1S/C15H12O3/c16-15-9-12-8-13(6-7-14(12)18-15)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyBVBBZNLCQSCOIS-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.73
Rot. Bonds3

About 5-phenylmethoxy-3H-1-benzofuran-2-one

5-phenylmethoxy-3H-1-benzofuran-2-one (PubChem CID 50887902) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-phenylmethoxy-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name5-phenylmethoxy-3H-1-benzofuran-2-one
PubChem CID50887902
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name5-phenylmethoxy-3H-1-benzofuran-2-one
SMILESO=C1Cc2cc(OCc3ccccc3)ccc2O1
InChIInChI=1S/C15H12O3/c16-15-9-12-8-13(6-7-14(12)18-15)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyBVBBZNLCQSCOIS-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
5-(aminooxymethyl)-3H-1-benzofuran-2-one
CID 158077981
3-bromo-6-phenylmethoxy-2,3-dihydrochromen-4-one
CID 19600716
3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751
ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate
CID 11302231
2-methylidene-8-phenylmethoxy-1,3,3a,9b-tetrahydrocyclopenta[c]chromen-4-one
CID 68706233
(2R)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 142956928
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene;4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 160808164
6-phenylmethoxychromen-2-one
CID 59816113
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
(2-oxo-3H-1-benzofuran-5-yl) prop-2-enoate
CID 59090463

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-3H-1-benzofuran-2-one?
The IUPAC name of 5-phenylmethoxy-3H-1-benzofuran-2-one (CID 50887902) is 5-phenylmethoxy-3H-1-benzofuran-2-one.
What is the SMILES notation for 5-phenylmethoxy-3H-1-benzofuran-2-one?
The canonical SMILES for 5-phenylmethoxy-3H-1-benzofuran-2-one is O=C1Cc2cc(OCc3ccccc3)ccc2O1.
What is the InChIKey of 5-phenylmethoxy-3H-1-benzofuran-2-one?
The InChIKey is BVBBZNLCQSCOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15-9-12-8-13(6-7-14(12)18-15)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 5-phenylmethoxy-3H-1-benzofuran-2-one?
5-phenylmethoxy-3H-1-benzofuran-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-3H-1-benzofuran-2-one is sourced from PubChem (CID 50887902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).