1-[chloro(phenyl)methyl]-2,3-dimethylbenzene

C15H15Cl — CID 13105628

IUPAC1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Cl)c2ccccc2)c1C
InChIInChI=1S/C15H15Cl/c1-11-7-6-10-14(12(11)2)15(16)13-8-4-3-5-9-13/h3-10,15H,1-2H3
InChIKeyWDCJXNOVLUBNOQ-UHFFFAOYSA-N
MW230.74 g/mol
LogP4.63
Rot. Bonds2

About 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene

1-[chloro(phenyl)methyl]-2,3-dimethylbenzene (PubChem CID 13105628) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
PubChem CID13105628
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Cl)c2ccccc2)c1C
InChIInChI=1S/C15H15Cl/c1-11-7-6-10-14(12(11)2)15(16)13-8-4-3-5-9-13/h3-10,15H,1-2H3
InChIKeyWDCJXNOVLUBNOQ-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
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

1-[chloro-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
CID 63435435
[(2,3-dimethylphenyl)-phenylmethyl]phosphane
CID 67637455
CID 66989826
CID 66989826
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
CID 63431750
2-[chloro-(2,3-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 63431805
4-[chloro-[2-(2,3-dimethylphenyl)phenyl]methyl]pyridine
CID 54546741
6-[chloro-(2,3-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434057
2-[chloro-(2,3-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879809
1-[chloro(phenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 2776679
1-[chloro-(2,3-dimethylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63435134
1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol
CID 63899543
4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene
CID 63429179

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene (CID 13105628) is 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene is Cc1cccc(C(Cl)c2ccccc2)c1C.
What is the InChIKey of 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene?
The InChIKey is WDCJXNOVLUBNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl/c1-11-7-6-10-14(12(11)2)15(16)13-8-4-3-5-9-13/h3-10,15H,1-2H3.
What are the key properties of 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene?
1-[chloro(phenyl)methyl]-2,3-dimethylbenzene has a molecular weight of 230.74 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(phenyl)methyl]-2,3-dimethylbenzene is sourced from PubChem (CID 13105628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).