2-chloro-1-cyclopropyl-4-methylbenzene;ethane

C12H17Cl — CID 144845511

IUPAC2-chloro-1-cyclopropyl-4-methylbenzene;ethane
SMILESCC.Cc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C10H11Cl.C2H6/c1-7-2-5-9(8-3-4-8)10(11)6-7;1-2/h2,5-6,8H,3-4H2,1H3;1-2H3
InChIKeyIRIYWDNSGFLSIP-UHFFFAOYSA-N
MW196.72 g/mol
LogP4.55
Rot. Bonds1

About 2-chloro-1-cyclopropyl-4-methylbenzene;ethane

2-chloro-1-cyclopropyl-4-methylbenzene;ethane (PubChem CID 144845511) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 2-chloro-1-cyclopropyl-4-methylbenzene;ethane.

Molecular Properties

Compound Name2-chloro-1-cyclopropyl-4-methylbenzene;ethane
PubChem CID144845511
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name2-chloro-1-cyclopropyl-4-methylbenzene;ethane
SMILESCC.Cc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C10H11Cl.C2H6/c1-7-2-5-9(8-3-4-8)10(11)6-7;1-2/h2,5-6,8H,3-4H2,1H3;1-2H3
InChIKeyIRIYWDNSGFLSIP-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.72
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,5S)-3-(2-chloro-4-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 124522659
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
(2R)-2-(2-chloro-4-methylphenyl)azetidine
CID 130738844
2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene
CID 91376879
2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116
N-[[4-(2-chloro-4-methylphenyl)piperidin-1-yl]methylsulfanyl]ethanamine
CID 155709819
(2-cyclopropyl-5-methylphenyl)methanamine
CID 90236498
1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
CID 118269320
4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
3-(2-chloro-4-methylphenyl)-1-methyl-4-nitropyrrolidine
CID 134162639
2-[4-(2-chloro-4-methylphenyl)piperidin-1-yl]-N-(oxetan-3-ylsulfanyl)ethanamine
CID 155201529
2-fluoro-4-methyl-1-(4-methylcyclohexyl)benzene
CID 126578544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclopropyl-4-methylbenzene;ethane?
The IUPAC name of 2-chloro-1-cyclopropyl-4-methylbenzene;ethane (CID 144845511) is 2-chloro-1-cyclopropyl-4-methylbenzene;ethane.
What is the SMILES notation for 2-chloro-1-cyclopropyl-4-methylbenzene;ethane?
The canonical SMILES for 2-chloro-1-cyclopropyl-4-methylbenzene;ethane is CC.Cc1ccc(C2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-cyclopropyl-4-methylbenzene;ethane?
The InChIKey is IRIYWDNSGFLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl.C2H6/c1-7-2-5-9(8-3-4-8)10(11)6-7;1-2/h2,5-6,8H,3-4H2,1H3;1-2H3.
What are the key properties of 2-chloro-1-cyclopropyl-4-methylbenzene;ethane?
2-chloro-1-cyclopropyl-4-methylbenzene;ethane has a molecular weight of 196.72 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclopropyl-4-methylbenzene;ethane is sourced from PubChem (CID 144845511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).