2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene

C14H15ClOS — CID 81123181

IUPAC2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene
SMILESCCc1ccc(C(Cl)c2cc(OC)cs2)cc1
InChIInChI=1S/C14H15ClOS/c1-3-10-4-6-11(7-5-10)14(15)13-8-12(16-2)9-17-13/h4-9,14H,3H2,1-2H3
InChIKeyGEKIMZFQEBAPGE-UHFFFAOYSA-N
MW266.79 g/mol
LogP4.65
Rot. Bonds4

About 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene

2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene (PubChem CID 81123181) has the molecular formula C14H15ClOS and a molecular weight of 266.79 g/mol. Its IUPAC name is 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene.

Molecular Properties

Compound Name2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene
PubChem CID81123181
Molecular FormulaC14H15ClOS
Molecular Weight266.79 g/mol
Exact Mass266.05
IUPAC Name2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene
SMILESCCc1ccc(C(Cl)c2cc(OC)cs2)cc1
InChIInChI=1S/C14H15ClOS/c1-3-10-4-6-11(7-5-10)14(15)13-8-12(16-2)9-17-13/h4-9,14H,3H2,1-2H3
InChIKeyGEKIMZFQEBAPGE-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene 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-[(4-butylphenyl)-chloromethyl]-4-methoxythiophene
CID 81123622
2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene
CID 81123738
2-bromo-4-[chloro-(4-ethylphenyl)methyl]thiophene
CID 107964496
5-[chloro-(4-methoxythiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 81119753
2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
CID 81124555
2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105014765
3-chloro-2-[chloro-(4-ethylphenyl)methyl]thiophene
CID 80530507
2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129746
1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81121964
2-[chloro-(4-methoxynaphthalen-1-yl)methyl]-4-methoxythiophene
CID 81118931

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene?
The IUPAC name of 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene (CID 81123181) is 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene.
What is the SMILES notation for 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene?
The canonical SMILES for 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene is CCc1ccc(C(Cl)c2cc(OC)cs2)cc1.
What is the InChIKey of 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene?
The InChIKey is GEKIMZFQEBAPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClOS/c1-3-10-4-6-11(7-5-10)14(15)13-8-12(16-2)9-17-13/h4-9,14H,3H2,1-2H3.
What are the key properties of 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene?
2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene has a molecular weight of 266.79 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene is sourced from PubChem (CID 81123181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).