(3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one

C12H14O3 — CID 11241196

IUPAC(3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one
SMILESCCC(O)/C=C1\OC(=O)C2=C1CCC=C2
InChIInChI=1S/C12H14O3/c1-2-8(13)7-11-9-5-3-4-6-10(9)12(14)15-11/h4,6-8,13H,2-3,5H2,1H3/b11-7-
InChIKeyXKAWDGBGOZLBRY-XFFZJAGNSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds2

About (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one

(3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one (PubChem CID 11241196) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one
PubChem CID11241196
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one
SMILESCCC(O)/C=C1\OC(=O)C2=C1CCC=C2
InChIInChI=1S/C12H14O3/c1-2-8(13)7-11-9-5-3-4-6-10(9)12(14)15-11/h4,6-8,13H,2-3,5H2,1H3/b11-7-
InChIKeyXKAWDGBGOZLBRY-XFFZJAGNSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-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

Related Compounds

Ligustilide
CID 5319022
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
CID 5877292
Appenolide C
CID 6444274
Menisdaurilide
CID 155054
Cladobotrin VI
CID 10059573
Harzianolide
CID 15719532
Aspergilactone A
CID 146682548
Griffonilide
CID 100341
Bombardolide A
CID 10261701
Bombardolide D
CID 10375070
(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
CID 11298065
Pyrenocine L
CID 76309266

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one (CID 11241196) is (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one is CCC(O)/C=C1\OC(=O)C2=C1CCC=C2.
What is the InChIKey of (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one?
The InChIKey is XKAWDGBGOZLBRY-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-8(13)7-11-9-5-3-4-6-10(9)12(14)15-11/h4,6-8,13H,2-3,5H2,1H3/b11-7-.
What are the key properties of (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one?
(3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one has a molecular weight of 206.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one is sourced from PubChem (CID 11241196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).