2-(3-phenylpropyl)cyclohepta[b]furan-8-one

C18H16O2 — CID 11065320

IUPAC2-(3-phenylpropyl)cyclohepta[b]furan-8-one
SMILESO=c1ccccc2cc(CCCc3ccccc3)oc12
InChIInChI=1S/C18H16O2/c19-17-12-5-4-10-15-13-16(20-18(15)17)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12-13H,6,9,11H2
InChIKeySZNJBEWMUUMJGF-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.97
Rot. Bonds4

About 2-(3-phenylpropyl)cyclohepta[b]furan-8-one

2-(3-phenylpropyl)cyclohepta[b]furan-8-one (PubChem CID 11065320) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-phenylpropyl)cyclohepta[b]furan-8-one.

Molecular Properties

Compound Name2-(3-phenylpropyl)cyclohepta[b]furan-8-one
PubChem CID11065320
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-(3-phenylpropyl)cyclohepta[b]furan-8-one
SMILESO=c1ccccc2cc(CCCc3ccccc3)oc12
InChIInChI=1S/C18H16O2/c19-17-12-5-4-10-15-13-16(20-18(15)17)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12-13H,6,9,11H2
InChIKeySZNJBEWMUUMJGF-UHFFFAOYSA-N
XLogP3.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)cyclohepta[b]furan-8-one?
The IUPAC name of 2-(3-phenylpropyl)cyclohepta[b]furan-8-one (CID 11065320) is 2-(3-phenylpropyl)cyclohepta[b]furan-8-one.
What is the SMILES notation for 2-(3-phenylpropyl)cyclohepta[b]furan-8-one?
The canonical SMILES for 2-(3-phenylpropyl)cyclohepta[b]furan-8-one is O=c1ccccc2cc(CCCc3ccccc3)oc12.
What is the InChIKey of 2-(3-phenylpropyl)cyclohepta[b]furan-8-one?
The InChIKey is SZNJBEWMUUMJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-17-12-5-4-10-15-13-16(20-18(15)17)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12-13H,6,9,11H2.
What are the key properties of 2-(3-phenylpropyl)cyclohepta[b]furan-8-one?
2-(3-phenylpropyl)cyclohepta[b]furan-8-one has a molecular weight of 264.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)cyclohepta[b]furan-8-one is sourced from PubChem (CID 11065320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).