1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene

C17H19Cl — CID 63430827

IUPAC1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(C(Cl)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19Cl/c1-11-7-12(2)9-16(8-11)17(18)15-6-5-13(3)14(4)10-15/h5-10,17H,1-4H3
InChIKeyGYUKVMXWKCBTRU-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.25
Rot. Bonds2

About 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene

1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene (PubChem CID 63430827) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
PubChem CID63430827
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Name1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(C(Cl)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19Cl/c1-11-7-12(2)9-16(8-11)17(18)15-6-5-13(3)14(4)10-15/h5-10,17H,1-4H3
InChIKeyGYUKVMXWKCBTRU-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.79
LogP ≤ 55.25
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

4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene
CID 63427367
1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429571
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
4-[chloro-(4-methoxyphenyl)methyl]-1,2-dimethylbenzene
CID 63427206
1-[(4-tert-butylphenyl)-chloromethyl]-3,5-dimethylbenzene
CID 63431779
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387
2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
CID 106862844
2-[bromo-(3,4-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55197972
4-[chloro-(3,4-dimethylphenyl)methyl]-1H-pyrazole
CID 114988755
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
CID 63427495
3-[chloro-(3,4-dimethylphenyl)methyl]-2,4,5-trimethylfuran
CID 65152086

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene (CID 63430827) is 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene is Cc1cc(C)cc(C(Cl)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene?
The InChIKey is GYUKVMXWKCBTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl/c1-11-7-12(2)9-16(8-11)17(18)15-6-5-13(3)14(4)10-15/h5-10,17H,1-4H3.
What are the key properties of 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene?
1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene has a molecular weight of 258.79 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene is sourced from PubChem (CID 63430827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).