4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene

C18H21Cl — CID 63427409

IUPAC4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene
SMILESCc1ccc(C(Cl)C(C)(C)c2ccccc2)cc1C
InChIInChI=1S/C18H21Cl/c1-13-10-11-15(12-14(13)2)17(19)18(3,4)16-8-6-5-7-9-16/h5-12,17H,1-4H3
InChIKeyPBTSRMSAPVTNEH-UHFFFAOYSA-N
MW272.82 g/mol
LogP5.56
Rot. Bonds3

About 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene

4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene (PubChem CID 63427409) has the molecular formula C18H21Cl and a molecular weight of 272.82 g/mol. Its IUPAC name is 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene
PubChem CID63427409
Molecular FormulaC18H21Cl
Molecular Weight272.82 g/mol
Exact Mass272.13
IUPAC Name4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene
SMILESCc1ccc(C(Cl)C(C)(C)c2ccccc2)cc1C
InChIInChI=1S/C18H21Cl/c1-13-10-11-15(12-14(13)2)17(19)18(3,4)16-8-6-5-7-9-16/h5-12,17H,1-4H3
InChIKeyPBTSRMSAPVTNEH-UHFFFAOYSA-N
XLogP5.56
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 ≤ 55.56
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-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene
CID 79743215
2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene
CID 63434775
[1-(3-chloro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107562330
4-(1-chloro-3,3-dimethylbutyl)-1,2-dimethylbenzene
CID 63430869
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene
CID 103303605
1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 107128707
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene
CID 63433916
(1-chloro-1,2-diphenylpropan-2-yl)benzene
CID 146405776
4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
CID 63427495
2-methyl-2-phenyl-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
CID 63426066
4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene
CID 91524620
[1-(3-fluoro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107130751

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene (CID 63427409) is 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene is Cc1ccc(C(Cl)C(C)(C)c2ccccc2)cc1C.
What is the InChIKey of 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene?
The InChIKey is PBTSRMSAPVTNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl/c1-13-10-11-15(12-14(13)2)17(19)18(3,4)16-8-6-5-7-9-16/h5-12,17H,1-4H3.
What are the key properties of 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene?
4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene has a molecular weight of 272.82 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene is sourced from PubChem (CID 63427409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).