4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one

C14H16O2 — CID 10856898

IUPAC4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one
SMILESC=C(C)c1c(CCC)ccc2c1COC2=O
InChIInChI=1S/C14H16O2/c1-4-5-10-6-7-11-12(8-16-14(11)15)13(10)9(2)3/h6-7H,2,4-5,8H2,1,3H3
InChIKeyOVCTYIOSUWWMTD-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.34
Rot. Bonds3

About 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one

4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one (PubChem CID 10856898) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one
PubChem CID10856898
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one
SMILESC=C(C)c1c(CCC)ccc2c1COC2=O
InChIInChI=1S/C14H16O2/c1-4-5-10-6-7-11-12(8-16-14(11)15)13(10)9(2)3/h6-7H,2,4-5,8H2,1,3H3
InChIKeyOVCTYIOSUWWMTD-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one?
The IUPAC name of 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one (CID 10856898) is 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one?
The canonical SMILES for 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one is C=C(C)c1c(CCC)ccc2c1COC2=O.
What is the InChIKey of 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one?
The InChIKey is OVCTYIOSUWWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-4-5-10-6-7-11-12(8-16-14(11)15)13(10)9(2)3/h6-7H,2,4-5,8H2,1,3H3.
What are the key properties of 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one?
4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-5-propyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 10856898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).