4-phenylbenzo[e][1]benzofuran-1-one

C18H12O2 — CID 70541028

IUPAC4-phenylbenzo[e][1]benzofuran-1-one
SMILESO=C1COc2c(-c3ccccc3)cc3ccccc3c21
InChIInChI=1S/C18H12O2/c19-16-11-20-18-15(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)17(16)18/h1-10H,11H2
InChIKeyCCFZDLPKXQAOAE-UHFFFAOYSA-N
MW260.29 g/mol
LogP4.08
Rot. Bonds1

About 4-phenylbenzo[e][1]benzofuran-1-one

4-phenylbenzo[e][1]benzofuran-1-one (PubChem CID 70541028) has the molecular formula C18H12O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-phenylbenzo[e][1]benzofuran-1-one.

Molecular Properties

Compound Name4-phenylbenzo[e][1]benzofuran-1-one
PubChem CID70541028
Molecular FormulaC18H12O2
Molecular Weight260.29 g/mol
Exact Mass260.08
IUPAC Name4-phenylbenzo[e][1]benzofuran-1-one
SMILESO=C1COc2c(-c3ccccc3)cc3ccccc3c21
InChIInChI=1S/C18H12O2/c19-16-11-20-18-15(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)17(16)18/h1-10H,11H2
InChIKeyCCFZDLPKXQAOAE-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-bromobenzo[f][1]benzofuran-3-one
CID 61030010
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
10,13,16-triphenyl-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 102315162
13-hydroxy-10,16-bis(4-phenylnaphthalen-2-yl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 135081905
13-methyl-10,16-bis(4-phenylphenyl)-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 135083340
2-chloro-1,3-diphenylnaphthalene
CID 12697982
13-hydroxy-10,16-bis(4-methylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 23110717
5-phenylbenzo[b]fluoren-11-one
CID 10494864
5-phenyl-3,4-dihydro-2H-anthracen-1-one
CID 174638646
5-hydroxy-4-methylbenzo[g][1]benzofuran-3-one
CID 162821119
[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
CID 10284023
2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
CID 58898275

Frequently Asked Questions

What is the IUPAC name of 4-phenylbenzo[e][1]benzofuran-1-one?
The IUPAC name of 4-phenylbenzo[e][1]benzofuran-1-one (CID 70541028) is 4-phenylbenzo[e][1]benzofuran-1-one.
What is the SMILES notation for 4-phenylbenzo[e][1]benzofuran-1-one?
The canonical SMILES for 4-phenylbenzo[e][1]benzofuran-1-one is O=C1COc2c(-c3ccccc3)cc3ccccc3c21.
What is the InChIKey of 4-phenylbenzo[e][1]benzofuran-1-one?
The InChIKey is CCFZDLPKXQAOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2/c19-16-11-20-18-15(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)17(16)18/h1-10H,11H2.
What are the key properties of 4-phenylbenzo[e][1]benzofuran-1-one?
4-phenylbenzo[e][1]benzofuran-1-one has a molecular weight of 260.29 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbenzo[e][1]benzofuran-1-one is sourced from PubChem (CID 70541028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).