2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone

C16H13FO3 — CID 65434765

IUPAC2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H13FO3/c1-19-14-4-2-3-12(17)15(14)16(18)11-5-6-13-10(9-11)7-8-20-13/h2-6,9H,7-8H2,1H3
InChIKeyFHAMZAOQAOSAKE-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.00
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone

2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 65434765) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID65434765
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H13FO3/c1-19-14-4-2-3-12(17)15(14)16(18)11-5-6-13-10(9-11)7-8-20-13/h2-6,9H,7-8H2,1H3
InChIKeyFHAMZAOQAOSAKE-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)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

(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79773139
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160534
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65433487
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyphenyl)sulfanylethanone
CID 60593538

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone (CID 65434765) is 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is FHAMZAOQAOSAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-14-4-2-3-12(17)15(14)16(18)11-5-6-13-10(9-11)7-8-20-13/h2-6,9H,7-8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone?
2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 272.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 65434765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).