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

C18H18O3 — CID 43338452

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H18O3/c1-20-16-6-2-13(3-7-16)4-8-17(19)14-5-9-18-15(12-14)10-11-21-18/h2-3,5-7,9,12H,4,8,10-11H2,1H3
InChIKeyCWOBIVMEZLRNKA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.45
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 43338452) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID43338452
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H18O3/c1-20-16-6-2-13(3-7-16)4-8-17(19)14-5-9-18-15(12-14)10-11-21-18/h2-3,5-7,9,12H,4,8,10-11H2,1H3
InChIKeyCWOBIVMEZLRNKA-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972208
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
CID 86263918
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
CID 65444924
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200694
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one
CID 105103302
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide
CID 110792373

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one (CID 43338452) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is CWOBIVMEZLRNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-16-6-2-13(3-7-16)4-8-17(19)14-5-9-18-15(12-14)10-11-21-18/h2-3,5-7,9,12H,4,8,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.45, 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)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 43338452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).