1-(2-chloro-2-phenylethyl)-2-methylbenzene

C15H15Cl — CID 13075090

IUPAC1-(2-chloro-2-phenylethyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)c1ccccc1
InChIInChI=1S/C15H15Cl/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyDVNMIUFLCPXQPH-UHFFFAOYSA-N
MW230.74 g/mol
LogP4.52
Rot. Bonds3

About 1-(2-chloro-2-phenylethyl)-2-methylbenzene

1-(2-chloro-2-phenylethyl)-2-methylbenzene (PubChem CID 13075090) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(2-chloro-2-phenylethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-chloro-2-phenylethyl)-2-methylbenzene
PubChem CID13075090
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-(2-chloro-2-phenylethyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)c1ccccc1
InChIInChI=1S/C15H15Cl/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyDVNMIUFLCPXQPH-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 54.52
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

1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
CID 81324901
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylfuran
CID 63015918
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-fluoro-1,3-dimethylbenzene
CID 106879668
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 63544235
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylthiophene
CID 63430609
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylfuran
CID 79084572
1-(2-chloro-4-methylpentyl)-2-methylbenzene
CID 63544752
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene
CID 63430769
ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol
CID 144861751

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-phenylethyl)-2-methylbenzene?
The IUPAC name of 1-(2-chloro-2-phenylethyl)-2-methylbenzene (CID 13075090) is 1-(2-chloro-2-phenylethyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-chloro-2-phenylethyl)-2-methylbenzene?
The canonical SMILES for 1-(2-chloro-2-phenylethyl)-2-methylbenzene is Cc1ccccc1CC(Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-2-phenylethyl)-2-methylbenzene?
The InChIKey is DVNMIUFLCPXQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3.
What are the key properties of 1-(2-chloro-2-phenylethyl)-2-methylbenzene?
1-(2-chloro-2-phenylethyl)-2-methylbenzene has a molecular weight of 230.74 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-phenylethyl)-2-methylbenzene is sourced from PubChem (CID 13075090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).