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

C18H21Cl — CID 63430271

IUPAC1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)Cc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H21Cl/c1-12-6-8-17(15(4)9-12)18(19)11-16-10-13(2)5-7-14(16)3/h5-10,18H,11H2,1-4H3
InChIKeyYNRUUYKHGBKQFJ-UHFFFAOYSA-N
MW272.82 g/mol
LogP5.44
Rot. Bonds3

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

1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene (PubChem CID 63430271) has the molecular formula C18H21Cl and a molecular weight of 272.82 g/mol. Its IUPAC name is 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
PubChem CID63430271
Molecular FormulaC18H21Cl
Molecular Weight272.82 g/mol
Exact Mass272.13
IUPAC Name1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)Cc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H21Cl/c1-12-6-8-17(15(4)9-12)18(19)11-16-10-13(2)5-7-14(16)3/h5-10,18H,11H2,1-4H3
InChIKeyYNRUUYKHGBKQFJ-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.82
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55224263
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,3-difluorobenzene
CID 63544773
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
2-[2-(5-bromo-2-fluorophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 63544422
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
2-[2-chloro-2-(4-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 55224453
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
2-[2-chloro-2-(3-fluoro-4-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 55224644
1-(1-chloro-3,3-dimethylbutyl)-2,4-dimethylbenzene
CID 63430059
5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83044402

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene (CID 63430271) is 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene is Cc1ccc(C(Cl)Cc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
The InChIKey is YNRUUYKHGBKQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl/c1-12-6-8-17(15(4)9-12)18(19)11-16-10-13(2)5-7-14(16)3/h5-10,18H,11H2,1-4H3.
What are the key properties of 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene?
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene has a molecular weight of 272.82 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene is sourced from PubChem (CID 63430271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).