1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol

C10H11ClO2 — CID 117200866

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol
SMILESCC(O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C10H11ClO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10,12H,5H2,1H3
InChIKeyNVRBXJSAQDAUQA-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.02
Rot. Bonds1

About 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol

1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol (PubChem CID 117200866) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol
PubChem CID117200866
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol
SMILESCC(O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C10H11ClO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10,12H,5H2,1H3
InChIKeyNVRBXJSAQDAUQA-UHFFFAOYSA-N
XLogP2.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2,3-dihydro-1-benzofuran-2-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol (CID 117200866) is 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol is CC(O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol?
The InChIKey is NVRBXJSAQDAUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10,12H,5H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol?
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol has a molecular weight of 198.65 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 117200866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).