1-benzyl-2-chloro-3,4-dimethylbenzene

C15H15Cl — CID 141001175

IUPAC1-benzyl-2-chloro-3,4-dimethylbenzene
SMILESCc1ccc(Cc2ccccc2)c(Cl)c1C
InChIInChI=1S/C15H15Cl/c1-11-8-9-14(15(16)12(11)2)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyVBIDYGHMXFMMBY-UHFFFAOYSA-N
MW230.74 g/mol
LogP4.55
Rot. Bonds2

About 1-benzyl-2-chloro-3,4-dimethylbenzene

1-benzyl-2-chloro-3,4-dimethylbenzene (PubChem CID 141001175) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-benzyl-2-chloro-3,4-dimethylbenzene.

Molecular Properties

Compound Name1-benzyl-2-chloro-3,4-dimethylbenzene
PubChem CID141001175
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-benzyl-2-chloro-3,4-dimethylbenzene
SMILESCc1ccc(Cc2ccccc2)c(Cl)c1C
InChIInChI=1S/C15H15Cl/c1-11-8-9-14(15(16)12(11)2)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyVBIDYGHMXFMMBY-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
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1-benzyl-2-chloro-3-methylbenzene;isocyanic acid
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1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
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CID 161110966
4-benzyl-3-methylaniline
CID 12846586
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CID 159187560
ethyl 4-benzyl-2,3-dichlorobenzoate
CID 70381316
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CID 123304206

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-chloro-3,4-dimethylbenzene?
The IUPAC name of 1-benzyl-2-chloro-3,4-dimethylbenzene (CID 141001175) is 1-benzyl-2-chloro-3,4-dimethylbenzene.
What is the SMILES notation for 1-benzyl-2-chloro-3,4-dimethylbenzene?
The canonical SMILES for 1-benzyl-2-chloro-3,4-dimethylbenzene is Cc1ccc(Cc2ccccc2)c(Cl)c1C.
What is the InChIKey of 1-benzyl-2-chloro-3,4-dimethylbenzene?
The InChIKey is VBIDYGHMXFMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl/c1-11-8-9-14(15(16)12(11)2)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-benzyl-2-chloro-3,4-dimethylbenzene?
1-benzyl-2-chloro-3,4-dimethylbenzene has a molecular weight of 230.74 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-chloro-3,4-dimethylbenzene is sourced from PubChem (CID 141001175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).