1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one

C19H28O2 — CID 102469747

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-18(20)16-11-12-19-17(15-16)13-14-21-19/h11-12,15H,2-10,13-14H2,1H3
InChIKeyZBFFZNDOMKYVON-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.34
Rot. Bonds10

About 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one

1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one (PubChem CID 102469747) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
PubChem CID102469747
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-18(20)16-11-12-19-17(15-16)13-14-21-19/h11-12,15H,2-10,13-14H2,1H3
InChIKeyZBFFZNDOMKYVON-UHFFFAOYSA-N
XLogP5.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-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

1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
CID 114963747
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61444799
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
CID 116562848
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
1-(2,5,8,11-tetraoxatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-16-yl)octan-1-one
CID 102066958
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)octan-1-one
CID 107293346

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one (CID 102469747) is 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one is CCCCCCCCCCC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one?
The InChIKey is ZBFFZNDOMKYVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-18(20)16-11-12-19-17(15-16)13-14-21-19/h11-12,15H,2-10,13-14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one has a molecular weight of 288.43 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one is sourced from PubChem (CID 102469747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).