2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene

C15H17ClOS — CID 81129061

IUPAC2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene
SMILESCOc1csc(C(Cl)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C15H17ClOS/c1-10-4-5-11(2)12(6-10)7-14(16)15-8-13(17-3)9-18-15/h4-6,8-9,14H,7H2,1-3H3
InChIKeyDHAFYEZEDRNBLB-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.90
Rot. Bonds4

About 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene

2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene (PubChem CID 81129061) has the molecular formula C15H17ClOS and a molecular weight of 280.82 g/mol. Its IUPAC name is 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene.

Molecular Properties

Compound Name2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene
PubChem CID81129061
Molecular FormulaC15H17ClOS
Molecular Weight280.82 g/mol
Exact Mass280.07
IUPAC Name2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene
SMILESCOc1csc(C(Cl)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C15H17ClOS/c1-10-4-5-11(2)12(6-10)7-14(16)15-8-13(17-3)9-18-15/h4-6,8-9,14H,7H2,1-3H3
InChIKeyDHAFYEZEDRNBLB-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122534
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83044402
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
2-[2-chloro-2-(4-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 55224453
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829185
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443786
2-[2-chloro-2-(3-fluoro-4-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 55224644

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene?
The IUPAC name of 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene (CID 81129061) is 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene.
What is the SMILES notation for 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene?
The canonical SMILES for 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene is COc1csc(C(Cl)Cc2cc(C)ccc2C)c1.
What is the InChIKey of 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene?
The InChIKey is DHAFYEZEDRNBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClOS/c1-10-4-5-11(2)12(6-10)7-14(16)15-8-13(17-3)9-18-15/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene?
2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene has a molecular weight of 280.82 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene is sourced from PubChem (CID 81129061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).