4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene

C16H17Cl — CID 71243768

IUPAC4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
SMILESCc1cc(Cl)ccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17Cl/c1-11(2)13-4-6-14(7-5-13)16-9-8-15(17)10-12(16)3/h4-11H,1-3H3
InChIKeyNGIDCJVOZLZGKG-UHFFFAOYSA-N
MW244.76 g/mol
LogP5.44
Rot. Bonds2

About 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene

4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene (PubChem CID 71243768) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
PubChem CID71243768
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
SMILESCc1cc(Cl)ccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17Cl/c1-11(2)13-4-6-14(7-5-13)16-9-8-15(17)10-12(16)3/h4-11H,1-3H3
InChIKeyNGIDCJVOZLZGKG-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.76
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
CID 131990321
sodium 4-(4-chloro-2-methylphenyl)phenolate
CID 174930978
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride
CID 18426294
N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
CID 66481817
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene
CID 71242096
N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 66481816
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene
CID 58689096
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene (CID 71243768) is 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene is Cc1cc(Cl)ccc1-c1ccc(C(C)C)cc1.
What is the InChIKey of 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene?
The InChIKey is NGIDCJVOZLZGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-11(2)13-4-6-14(7-5-13)16-9-8-15(17)10-12(16)3/h4-11H,1-3H3.
What are the key properties of 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene?
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene has a molecular weight of 244.76 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 71243768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).