1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene

C16H17Cl — CID 22768598

IUPAC1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene
SMILESCc1ccc(C)c(Cc2cccc(Cl)c2C)c1
InChIInChI=1S/C16H17Cl/c1-11-7-8-12(2)15(9-11)10-14-5-4-6-16(17)13(14)3/h4-9H,10H2,1-3H3
InChIKeyTXMVXQMHNSJDMI-UHFFFAOYSA-N
MW244.76 g/mol
LogP4.86
Rot. Bonds2

About 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene

1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene (PubChem CID 22768598) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene
PubChem CID22768598
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene
SMILESCc1ccc(C)c(Cc2cccc(Cl)c2C)c1
InChIInChI=1S/C16H17Cl/c1-11-7-8-12(2)15(9-11)10-14-5-4-6-16(17)13(14)3/h4-9H,10H2,1-3H3
InChIKeyTXMVXQMHNSJDMI-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

1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene
CID 163739903
1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene
CID 123640125
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline
CID 39349080
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
[1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287728
2,3-dichloro-1-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
CID 14252253

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene?
The IUPAC name of 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene (CID 22768598) is 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene.
What is the SMILES notation for 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene?
The canonical SMILES for 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene is Cc1ccc(C)c(Cc2cccc(Cl)c2C)c1.
What is the InChIKey of 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene?
The InChIKey is TXMVXQMHNSJDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-11-7-8-12(2)15(9-11)10-14-5-4-6-16(17)13(14)3/h4-9H,10H2,1-3H3.
What are the key properties of 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene?
1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene 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 1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene is sourced from PubChem (CID 22768598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).