2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene

C16H17Cl — CID 24763942

IUPAC2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H17Cl/c1-11-8-12(2)16(13(3)9-11)10-14-4-6-15(17)7-5-14/h4-9H,10H2,1-3H3
InChIKeyDKLQOYJPNCCPJH-UHFFFAOYSA-N
MW244.76 g/mol
LogP4.86
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene

2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 24763942) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID24763942
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H17Cl/c1-11-8-12(2)16(13(3)9-11)10-14-4-6-15(17)7-5-14/h4-9H,10H2,1-3H3
InChIKeyDKLQOYJPNCCPJH-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.76
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
CID 68866864
1-[(4-chlorophenyl)methyl]-2-[2-[(4-chlorophenyl)methyl]-4,6-dimethylphenyl]sulfonyl-3,5-dimethylbenzene
CID 70261696
2-[(4-chlorophenyl)methyl]-3-methylaniline
CID 70469771
1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
CID 134273607
2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 150549971
2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)
CID 20599386
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43080713
2-[(4-chlorophenyl)methyl]-4,6-dimethylpyrylium perchlorate
CID 13378949
4-[[4-[16-[4-[(4-aminophenyl)methyl]-3,5-dimethylphenyl]hexadecyl]-2,6-dimethylphenyl]methyl]aniline
CID 22920622
4-[[4-[6-[4-[(4-aminophenyl)methyl]-3,5-dimethylphenyl]hexyl]-2,6-dimethylphenyl]methyl]aniline
CID 22919219
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-1H-pyrimidine-4-thione
CID 16642971

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene (CID 24763942) is 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(Cc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is DKLQOYJPNCCPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-11-8-12(2)16(13(3)9-11)10-14-4-6-15(17)7-5-14/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene?
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 244.76 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 24763942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).