2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran

C14H15ClO — CID 63016485

IUPAC2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran
SMILESCc1ccc(CC(Cl)c2occc2C)cc1
InChIInChI=1S/C14H15ClO/c1-10-3-5-12(6-4-10)9-13(15)14-11(2)7-8-16-14/h3-8,13H,9H2,1-2H3
InChIKeyDMNKNTTVYFRWDH-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.42
Rot. Bonds3

About 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran

2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran (PubChem CID 63016485) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran.

Molecular Properties

Compound Name2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran
PubChem CID63016485
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran
SMILESCc1ccc(CC(Cl)c2occc2C)cc1
InChIInChI=1S/C14H15ClO/c1-10-3-5-12(6-4-10)9-13(15)14-11(2)7-8-16-14/h3-8,13H,9H2,1-2H3
InChIKeyDMNKNTTVYFRWDH-UHFFFAOYSA-N
XLogP4.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran 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-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylfuran
CID 63015918
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800627
1-(3-methylfuran-2-yl)-2-phenylethanol
CID 63016431
1-(3-methylfuran-2-yl)-2-phenylethanamine
CID 61078451
4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63542159
2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-3-methylfuran
CID 63429398
1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63943428
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
1-[1-chloro-2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 63544064
1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene
CID 63435129
2-(difluoromethyl)-3-methylfuran
CID 99986071

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran?
The IUPAC name of 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran (CID 63016485) is 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran.
What is the SMILES notation for 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran?
The canonical SMILES for 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran is Cc1ccc(CC(Cl)c2occc2C)cc1.
What is the InChIKey of 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran?
The InChIKey is DMNKNTTVYFRWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO/c1-10-3-5-12(6-4-10)9-13(15)14-11(2)7-8-16-14/h3-8,13H,9H2,1-2H3.
What are the key properties of 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran?
2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran has a molecular weight of 234.73 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(4-methylphenyl)ethyl]-3-methylfuran is sourced from PubChem (CID 63016485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).