1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one

C14H18O3 — CID 79617126

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
SMILESCOC(C)C(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H18O3/c1-10(16-2)13(15)5-3-11-4-6-14-12(9-11)7-8-17-14/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyAYNISSRJBVRQCD-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.16
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one

1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one (PubChem CID 79617126) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
PubChem CID79617126
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
SMILESCOC(C)C(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H18O3/c1-10(16-2)13(15)5-3-11-4-6-14-12(9-11)7-8-17-14/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyAYNISSRJBVRQCD-UHFFFAOYSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-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

4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
CID 116553577
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one
CID 116566776
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propan-2-ylamino]propanoic acid
CID 65446593
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
CID 65446247
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhex-4-en-3-one
CID 103455479
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4-methylpentanoic acid
CID 65444506
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-methylbutanoic acid
CID 115220891

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one (CID 79617126) is 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one is COC(C)C(=O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one?
The InChIKey is AYNISSRJBVRQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(16-2)13(15)5-3-11-4-6-14-12(9-11)7-8-17-14/h4,6,9-10H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one has a molecular weight of 234.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one is sourced from PubChem (CID 79617126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).