3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran

C14H15ClO — CID 61085601

IUPAC3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran
SMILESCCc1ccc(C(Cl)c2ccoc2C)cc1
InChIInChI=1S/C14H15ClO/c1-3-11-4-6-12(7-5-11)14(15)13-8-9-16-10(13)2/h4-9,14H,3H2,1-2H3
InChIKeyIMQOPZZMHIAQNG-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.48
Rot. Bonds3

About 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran

3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran (PubChem CID 61085601) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran.

Molecular Properties

Compound Name3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran
PubChem CID61085601
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran
SMILESCCc1ccc(C(Cl)c2ccoc2C)cc1
InChIInChI=1S/C14H15ClO/c1-3-11-4-6-12(7-5-11)14(15)13-8-9-16-10(13)2/h4-9,14H,3H2,1-2H3
InChIKeyIMQOPZZMHIAQNG-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[chloro-(4-ethylphenyl)methyl]-2-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

3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran
CID 61085111
3-[bromo-(4-ethylphenyl)methyl]-2-methylfuran
CID 63440285
3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran
CID 61082154
[2-(4-ethylphenyl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105268909
3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
CID 61084840
4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene
CID 82890709
3-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2-methylfuran
CID 63431355
5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61085783
(2-ethylfuran-3-yl)-(4-ethylphenyl)methanol
CID 114103668
(4-butylphenyl)-(2-methylfuran-3-yl)methanol
CID 61089435
4-[chloro-(4-ethylphenyl)methyl]pyridine
CID 114996829
1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 55199070

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran?
The IUPAC name of 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran (CID 61085601) is 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran.
What is the SMILES notation for 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran?
The canonical SMILES for 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran is CCc1ccc(C(Cl)c2ccoc2C)cc1.
What is the InChIKey of 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran?
The InChIKey is IMQOPZZMHIAQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO/c1-3-11-4-6-12(7-5-11)14(15)13-8-9-16-10(13)2/h4-9,14H,3H2,1-2H3.
What are the key properties of 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran?
3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran has a molecular weight of 234.73 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran is sourced from PubChem (CID 61085601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).