1-chloro-2-methylbenzene;ethane;methylcyclopentane

C15H25Cl — CID 164862819

IUPAC1-chloro-2-methylbenzene;ethane;methylcyclopentane
SMILESCC.CC1CCCC1.Cc1ccccc1Cl
InChIInChI=1S/C7H7Cl.C6H12.C2H6/c1-6-4-2-3-5-7(6)8;1-6-4-2-3-5-6;1-2/h2-5H,1H3;6H,2-5H2,1H3;1-2H3
InChIKeyPCJRVQFQRCOQMD-UHFFFAOYSA-N
MW240.82 g/mol
LogP5.87
Rot. Bonds

About 1-chloro-2-methylbenzene;ethane;methylcyclopentane

1-chloro-2-methylbenzene;ethane;methylcyclopentane (PubChem CID 164862819) has the molecular formula C15H25Cl and a molecular weight of 240.82 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;ethane;methylcyclopentane.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;ethane;methylcyclopentane
PubChem CID164862819
Molecular FormulaC15H25Cl
Molecular Weight240.82 g/mol
Exact Mass240.16
IUPAC Name1-chloro-2-methylbenzene;ethane;methylcyclopentane
SMILESCC.CC1CCCC1.Cc1ccccc1Cl
InChIInChI=1S/C7H7Cl.C6H12.C2H6/c1-6-4-2-3-5-7(6)8;1-6-4-2-3-5-6;1-2/h2-5H,1H3;6H,2-5H2,1H3;1-2H3
InChIKeyPCJRVQFQRCOQMD-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.82
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Chlorotoluene
CID 7810
2-Chlorotoluene
CID 7238
2-Chlorobiphenyl
CID 249266
3-Chlorotoluene
CID 7931
2-Chlorostyrene
CID 14906
4-Chlorostyrene
CID 14085
2-Chlorobenzyl chloride
CID 11906
2,6-Dichlorotoluene
CID 8368
m-Chlorostyrene
CID 14905
Benzene, 1-chloro-2-(trichloromethyl)-
CID 16494
Chloro-p-xylene
CID 32883
2,6-Dichlorostyrene
CID 34254

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;ethane;methylcyclopentane?
The IUPAC name of 1-chloro-2-methylbenzene;ethane;methylcyclopentane (CID 164862819) is 1-chloro-2-methylbenzene;ethane;methylcyclopentane.
What is the SMILES notation for 1-chloro-2-methylbenzene;ethane;methylcyclopentane?
The canonical SMILES for 1-chloro-2-methylbenzene;ethane;methylcyclopentane is CC.CC1CCCC1.Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-methylbenzene;ethane;methylcyclopentane?
The InChIKey is PCJRVQFQRCOQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.C6H12.C2H6/c1-6-4-2-3-5-7(6)8;1-6-4-2-3-5-6;1-2/h2-5H,1H3;6H,2-5H2,1H3;1-2H3.
What are the key properties of 1-chloro-2-methylbenzene;ethane;methylcyclopentane?
1-chloro-2-methylbenzene;ethane;methylcyclopentane has a molecular weight of 240.82 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;ethane;methylcyclopentane is sourced from PubChem (CID 164862819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).