3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one

C16H12O2 — CID 164896790

IUPAC3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1/C=C\c1ccccc1
InChIInChI=1S/C16H12O2/c17-16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)18-16/h1-11,14H/b11-10-
InChIKeyYILDBIUBELAIIK-KHPPLWFESA-N
MW236.27 g/mol
LogP3.40
Rot. Bonds2

About 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one

3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one (PubChem CID 164896790) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one
PubChem CID164896790
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1/C=C\c1ccccc1
InChIInChI=1S/C16H12O2/c17-16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)18-16/h1-11,14H/b11-10-
InChIKeyYILDBIUBELAIIK-KHPPLWFESA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.40
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

3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one
CID 102010173
3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione
CID 57149375
2-benzylidene-3H-1-benzofuran-3-carbaldehyde
CID 174224759
(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
(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
3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione
CID 137333511
3,4-diamino-3,4-dihydrochromen-2-one
CID 86031829
2-oxo-3H-1-benzofuran-3-sulfonic acid
CID 139748470
ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069
8-oxa-4λ4-thia-3,5-diazatricyclo[7.4.0.02,6]trideca-1(13),3,4,9,11-pentaen-7-one
CID 59286544
10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide
CID 175144014
3-benzoyl-3H-1-benzofuran-2-one
CID 70129495

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one?
The IUPAC name of 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one (CID 164896790) is 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one.
What is the SMILES notation for 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one?
The canonical SMILES for 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one is O=C1Oc2ccccc2C1/C=C\c1ccccc1.
What is the InChIKey of 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one?
The InChIKey is YILDBIUBELAIIK-KHPPLWFESA-N. The full InChI is InChI=1S/C16H12O2/c17-16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)18-16/h1-11,14H/b11-10-.
What are the key properties of 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one?
3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one has a molecular weight of 236.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one is sourced from PubChem (CID 164896790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).