1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene

C16H17Cl — CID 63428656

IUPAC1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)c2ccc(C)cc2C)cc1
InChIInChI=1S/C16H17Cl/c1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)10-13(15)3/h4-10,16H,1-3H3
InChIKeyHHWQKAZGPRHMGI-UHFFFAOYSA-N
MW244.76 g/mol
LogP4.94
Rot. Bonds2

About 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene

1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene (PubChem CID 63428656) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
PubChem CID63428656
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)c2ccc(C)cc2C)cc1
InChIInChI=1S/C16H17Cl/c1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)10-13(15)3/h4-10,16H,1-3H3
InChIKeyHHWQKAZGPRHMGI-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
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-(3,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 61081551
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
1-[chloro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,4-dimethylbenzene
CID 63430183
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922
2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879841
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
1-[chloro-(2,4-dimethylphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477595
2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
CID 106862844
6-[chloro-(2,4-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085790
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
CID 114024870
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene (CID 63428656) is 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene is Cc1ccc(C(Cl)c2ccc(C)cc2C)cc1.
What is the InChIKey of 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene?
The InChIKey is HHWQKAZGPRHMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)10-13(15)3/h4-10,16H,1-3H3.
What are the key properties of 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene?
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene has a molecular weight of 244.76 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 63428656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).