2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

C20H23ClN2O2 — CID 16673733

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H23ClN2O2/c21-17-3-1-2-4-18(17)23-10-8-22(9-11-23)14-19(24)15-5-6-20-16(13-15)7-12-25-20/h1-6,13,19,24H,7-12,14H2
InChIKeyVGXRBXQZUHOGGC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.13
Rot. Bonds4

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (PubChem CID 16673733) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
PubChem CID16673733
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H23ClN2O2/c21-17-3-1-2-4-18(17)23-10-8-22(9-11-23)14-19(24)15-5-6-20-16(13-15)7-12-25-20/h1-6,13,19,24H,7-12,14H2
InChIKeyVGXRBXQZUHOGGC-UHFFFAOYSA-N
XLogP3.13
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol 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-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol
CID 46966484
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473
N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803499
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 47069555
1-(2-chlorophenyl)-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-5-yl]methyl]piperazine
CID 10135286
4-[1-hydroxy-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
CID 176946490
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
(4S)-1'-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]spiro[3,4-dihydrobenzo[h]chromene-2,4'-piperidine]-4-ol
CID 92576668
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 51588955
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (CID 16673733) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol is OC(CN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The InChIKey is VGXRBXQZUHOGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-17-3-1-2-4-18(17)23-10-8-22(9-11-23)14-19(24)15-5-6-20-16(13-15)7-12-25-20/h1-6,13,19,24H,7-12,14H2.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol has a molecular weight of 358.87 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 16673733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).