1-(4-chloroheptyl)-4-methylbenzene

C14H21Cl — CID 64516629

IUPAC1-(4-chloroheptyl)-4-methylbenzene
SMILESCCCC(Cl)CCCc1ccc(C)cc1
InChIInChI=1S/C14H21Cl/c1-3-5-14(15)7-4-6-13-10-8-12(2)9-11-13/h8-11,14H,3-7H2,1-2H3
InChIKeyHITWONNYTNRDIR-UHFFFAOYSA-N
MW224.78 g/mol
LogP4.73
Rot. Bonds6

About 1-(4-chloroheptyl)-4-methylbenzene

1-(4-chloroheptyl)-4-methylbenzene (PubChem CID 64516629) has the molecular formula C14H21Cl and a molecular weight of 224.78 g/mol. Its IUPAC name is 1-(4-chloroheptyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(4-chloroheptyl)-4-methylbenzene
PubChem CID64516629
Molecular FormulaC14H21Cl
Molecular Weight224.78 g/mol
Exact Mass224.13
IUPAC Name1-(4-chloroheptyl)-4-methylbenzene
SMILESCCCC(Cl)CCCc1ccc(C)cc1
InChIInChI=1S/C14H21Cl/c1-3-5-14(15)7-4-6-13-10-8-12(2)9-11-13/h8-11,14H,3-7H2,1-2H3
InChIKeyHITWONNYTNRDIR-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.78
LogP ≤ 54.73
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

1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
1-methyl-4-(4-methylnonyl)benzene
CID 59776274
1-chloro-4-(4-chloroheptyl)-2-fluorobenzene
CID 107888269
1-(3-chlorohexyl)-4-iodobenzene
CID 65477934
1-methyl-4-octylbenzene
CID 11052746
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloroheptyl)-4-methylbenzene?
The IUPAC name of 1-(4-chloroheptyl)-4-methylbenzene (CID 64516629) is 1-(4-chloroheptyl)-4-methylbenzene.
What is the SMILES notation for 1-(4-chloroheptyl)-4-methylbenzene?
The canonical SMILES for 1-(4-chloroheptyl)-4-methylbenzene is CCCC(Cl)CCCc1ccc(C)cc1.
What is the InChIKey of 1-(4-chloroheptyl)-4-methylbenzene?
The InChIKey is HITWONNYTNRDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl/c1-3-5-14(15)7-4-6-13-10-8-12(2)9-11-13/h8-11,14H,3-7H2,1-2H3.
What are the key properties of 1-(4-chloroheptyl)-4-methylbenzene?
1-(4-chloroheptyl)-4-methylbenzene has a molecular weight of 224.78 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroheptyl)-4-methylbenzene is sourced from PubChem (CID 64516629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).