1-chloro-2-(3-ethylcyclohexyl)oxybenzene

C14H19ClO — CID 64763442

IUPAC1-chloro-2-(3-ethylcyclohexyl)oxybenzene
SMILESCCC1CCCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClO/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h3-4,8-9,11-12H,2,5-7,10H2,1H3
InChIKeyAJJWWSCSGPLSMZ-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.69
Rot. Bonds3

About 1-chloro-2-(3-ethylcyclohexyl)oxybenzene

1-chloro-2-(3-ethylcyclohexyl)oxybenzene (PubChem CID 64763442) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-chloro-2-(3-ethylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-chloro-2-(3-ethylcyclohexyl)oxybenzene
PubChem CID64763442
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-chloro-2-(3-ethylcyclohexyl)oxybenzene
SMILESCCC1CCCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClO/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h3-4,8-9,11-12H,2,5-7,10H2,1H3
InChIKeyAJJWWSCSGPLSMZ-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine
CID 114322092
3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 79618026
4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 141084041
3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 82827360
3-(2-chlorophenoxy)cyclobutan-1-amine
CID 66356902
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
CID 134430249
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol
CID 106768794
3,5-dichloro-6-(3-ethylcyclohexyl)oxypyridin-2-amine
CID 102761005
1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402
[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777491

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-ethylcyclohexyl)oxybenzene?
The IUPAC name of 1-chloro-2-(3-ethylcyclohexyl)oxybenzene (CID 64763442) is 1-chloro-2-(3-ethylcyclohexyl)oxybenzene.
What is the SMILES notation for 1-chloro-2-(3-ethylcyclohexyl)oxybenzene?
The canonical SMILES for 1-chloro-2-(3-ethylcyclohexyl)oxybenzene is CCC1CCCC(Oc2ccccc2Cl)C1.
What is the InChIKey of 1-chloro-2-(3-ethylcyclohexyl)oxybenzene?
The InChIKey is AJJWWSCSGPLSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h3-4,8-9,11-12H,2,5-7,10H2,1H3.
What are the key properties of 1-chloro-2-(3-ethylcyclohexyl)oxybenzene?
1-chloro-2-(3-ethylcyclohexyl)oxybenzene has a molecular weight of 238.76 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-ethylcyclohexyl)oxybenzene is sourced from PubChem (CID 64763442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).