2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene

C16H17Cl — CID 66436960

IUPAC2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(CCl)c2ccccc2)c1
InChIInChI=1S/C16H17Cl/c1-12-8-9-13(2)15(10-12)16(11-17)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyVEYCLHCKCVSODJ-UHFFFAOYSA-N
MW244.77 g/mol
LogP4.67
Rot. Bonds3

About 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene

2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene (PubChem CID 66436960) has the molecular formula C16H17Cl and a molecular weight of 244.77 g/mol. Its IUPAC name is 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
PubChem CID66436960
Molecular FormulaC16H17Cl
Molecular Weight244.77 g/mol
Exact Mass244.10
IUPAC Name2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(CCl)c2ccccc2)c1
InChIInChI=1S/C16H17Cl/c1-12-8-9-13(2)15(10-12)16(11-17)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyVEYCLHCKCVSODJ-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 54.67
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

N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 66438254
(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 70989552
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol
CID 79299341
2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine
CID 116907390
1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
CID 79307352
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
CID 43151186
1-(2,5-dimethylphenyl)-N-ethyl-1-phenylpropan-2-amine
CID 66437881
2-(2-bromo-3-methyl-1-phenylbutyl)-1,4-dimethylbenzene
CID 79297893
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid
CID 43135171
3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 142945347
2-(2,5-dimethylphenyl)-3-phenylbutanoic acid
CID 82140170

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene (CID 66436960) is 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene is Cc1ccc(C)c(C(CCl)c2ccccc2)c1.
What is the InChIKey of 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene?
The InChIKey is VEYCLHCKCVSODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-12-8-9-13(2)15(10-12)16(11-17)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3.
What are the key properties of 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene?
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene has a molecular weight of 244.77 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene is sourced from PubChem (CID 66436960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).