1-chloro-4-methylbenzene

C7H7Cl — CID 7810

IUPAC1-chloro-4-methylbenzene
SMILESCc1ccc(Cl)cc1
InChIInChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKeyNPDACUSDTOMAMK-UHFFFAOYSA-N
MW126.59 g/mol
LogP2.65
Rot. Bonds

About 1-chloro-4-methylbenzene

1-chloro-4-methylbenzene (PubChem CID 7810) has the molecular formula C7H7Cl and a molecular weight of 126.59 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-methylbenzene
PubChem CID7810
Molecular FormulaC7H7Cl
Molecular Weight126.59 g/mol
Exact Mass126.02
IUPAC Name1-chloro-4-methylbenzene
SMILESCc1ccc(Cl)cc1
InChIInChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKeyNPDACUSDTOMAMK-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.59
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzyl Chloride
CID 7503
Benzotrichloride
CID 7367
2,4-Dichlorotoluene
CID 7254
1-Chloro-4-(trifluoromethyl)benzene
CID 7394
2-Chlorotoluene
CID 7238
2-Chlorostyrene
CID 14906
3-Chlorotoluene
CID 7931
Benzene, 1,2-dichloro-4-methyl-
CID 7256
4-Chlorobiphenyl
CID 16323
1-Chloro-4-(chloromethyl)benzene
CID 7723
4-Chlorostyrene
CID 14085
4,4'-Dichlorobiphenyl
CID 16308

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene?
The IUPAC name of 1-chloro-4-methylbenzene (CID 7810) is 1-chloro-4-methylbenzene.
What is the SMILES notation for 1-chloro-4-methylbenzene?
The canonical SMILES for 1-chloro-4-methylbenzene is Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-methylbenzene?
The InChIKey is NPDACUSDTOMAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3.
What are the key properties of 1-chloro-4-methylbenzene?
1-chloro-4-methylbenzene has a molecular weight of 126.59 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylbenzene is sourced from PubChem (CID 7810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).