4-phenyl-1,3-dihydrobenzo[e][2]benzofuran

C18H14O — CID 86077957

IUPAC4-phenyl-1,3-dihydrobenzo[e][2]benzofuran
SMILESc1ccc(-c2cc3ccccc3c3c2COC3)cc1
InChIInChI=1S/C18H14O/c1-2-6-13(7-3-1)16-10-14-8-4-5-9-15(14)17-11-19-12-18(16)17/h1-10H,11-12H2
InChIKeyJOKGTMQQKOWAFQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.54
Rot. Bonds1

About 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran

4-phenyl-1,3-dihydrobenzo[e][2]benzofuran (PubChem CID 86077957) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran.

Molecular Properties

Compound Name4-phenyl-1,3-dihydrobenzo[e][2]benzofuran
PubChem CID86077957
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name4-phenyl-1,3-dihydrobenzo[e][2]benzofuran
SMILESc1ccc(-c2cc3ccccc3c3c2COC3)cc1
InChIInChI=1S/C18H14O/c1-2-6-13(7-3-1)16-10-14-8-4-5-9-15(14)17-11-19-12-18(16)17/h1-10H,11-12H2
InChIKeyJOKGTMQQKOWAFQ-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran?
The IUPAC name of 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran (CID 86077957) is 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran.
What is the SMILES notation for 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran?
The canonical SMILES for 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran is c1ccc(-c2cc3ccccc3c3c2COC3)cc1.
What is the InChIKey of 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran?
The InChIKey is JOKGTMQQKOWAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-2-6-13(7-3-1)16-10-14-8-4-5-9-15(14)17-11-19-12-18(16)17/h1-10H,11-12H2.
What are the key properties of 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran?
4-phenyl-1,3-dihydrobenzo[e][2]benzofuran has a molecular weight of 246.31 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-dihydrobenzo[e][2]benzofuran is sourced from PubChem (CID 86077957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).