2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran

C18H17ClO2 — CID 65158245

IUPAC2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran
SMILESClC(CC1CCCO1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H17ClO2/c19-16(11-13-4-3-9-20-13)12-7-8-18-15(10-12)14-5-1-2-6-17(14)21-18/h1-2,5-8,10,13,16H,3-4,9,11H2
InChIKeyRLGQHGKGTZVGTA-UHFFFAOYSA-N
MW300.79 g/mol
LogP5.43
Rot. Bonds3

About 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran

2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran (PubChem CID 65158245) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran.

Molecular Properties

Compound Name2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran
PubChem CID65158245
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran
SMILESClC(CC1CCCO1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H17ClO2/c19-16(11-13-4-3-9-20-13)12-7-8-18-15(10-12)14-5-1-2-6-17(14)21-18/h1-2,5-8,10,13,16H,3-4,9,11H2
InChIKeyRLGQHGKGTZVGTA-UHFFFAOYSA-N
XLogP5.43
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.79
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran 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

dibenzofuran-2-yl(oxan-2-yl)methanamine
CID 62214403
1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 63090070
2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane
CID 83068363
20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
CID 1280562
2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65158350
2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
CID 65157757
2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
CID 65157706
2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79438066
[1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198804
1-dibenzofuran-2-ylprop-2-en-1-ol
CID 171366955
2-[2-chloro-2-(2,3,4,5,6-pentamethylphenyl)ethyl]oxolane
CID 65157605
2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
CID 79443640

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran?
The IUPAC name of 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran (CID 65158245) is 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran.
What is the SMILES notation for 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran?
The canonical SMILES for 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran is ClC(CC1CCCO1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran?
The InChIKey is RLGQHGKGTZVGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c19-16(11-13-4-3-9-20-13)12-7-8-18-15(10-12)14-5-1-2-6-17(14)21-18/h1-2,5-8,10,13,16H,3-4,9,11H2.
What are the key properties of 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran?
2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran has a molecular weight of 300.79 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran is sourced from PubChem (CID 65158245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).