1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone

C14H16O3 — CID 63021604

IUPAC1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)C1CCCCO1
InChIInChI=1S/C14H16O3/c15-14(13-3-1-2-6-17-13)10-4-5-11-8-16-9-12(11)7-10/h4-5,7,13H,1-3,6,8-9H2
InChIKeyUENGIRJGDNPCEF-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.47
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone

1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone (PubChem CID 63021604) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone
PubChem CID63021604
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)C1CCCCO1
InChIInChI=1S/C14H16O3/c15-14(13-3-1-2-6-17-13)10-4-5-11-8-16-9-12(11)7-10/h4-5,7,13H,1-3,6,8-9H2
InChIKeyUENGIRJGDNPCEF-UHFFFAOYSA-N
XLogP2.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone 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-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
(4-cyclohexylphenyl)-(oxan-2-yl)methanone
CID 62212791
(3,5-difluorophenyl)-(oxan-2-yl)methanone
CID 114970560
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
7-(oxane-2-carbonyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525479
2-methyl-6-(oxane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 62213155
(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
CID 83154271
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545944

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone (CID 63021604) is 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone is O=C(c1ccc2c(c1)COC2)C1CCCCO1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone?
The InChIKey is UENGIRJGDNPCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-14(13-3-1-2-6-17-13)10-4-5-11-8-16-9-12(11)7-10/h4-5,7,13H,1-3,6,8-9H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone?
1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone has a molecular weight of 232.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone is sourced from PubChem (CID 63021604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).