1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene

C16H23Cl — CID 67782354

IUPAC1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
SMILESCCC1CCC(CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23Cl/c1-2-13-7-9-14(10-8-13)11-12-15-5-3-4-6-16(15)17/h3-6,13-14H,2,7-12H2,1H3
InChIKeyKHIKOFBXEZXUOH-UHFFFAOYSA-N
MW250.81 g/mol
LogP5.49
Rot. Bonds4

About 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene

1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene (PubChem CID 67782354) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
PubChem CID67782354
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
SMILESCCC1CCC(CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23Cl/c1-2-13-7-9-14(10-8-13)11-12-15-5-3-4-6-16(15)17/h3-6,13-14H,2,7-12H2,1H3
InChIKeyKHIKOFBXEZXUOH-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(2-cyclohexylethyl)benzene
CID 57280256
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185968
azane;1-butyl-2-chlorobenzene
CID 19011342
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082267
1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 139911116
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine
CID 111604959
2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde
CID 88539947
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene (CID 67782354) is 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene is CCC1CCC(CCc2ccccc2Cl)CC1.
What is the InChIKey of 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene?
The InChIKey is KHIKOFBXEZXUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c1-2-13-7-9-14(10-8-13)11-12-15-5-3-4-6-16(15)17/h3-6,13-14H,2,7-12H2,1H3.
What are the key properties of 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene?
1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene has a molecular weight of 250.81 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 67782354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).