1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone

C16H21ClO2 — CID 63862858

IUPAC1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
SMILESCCC1CCCCC1Oc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C16H21ClO2/c1-3-12-6-4-5-7-15(12)19-16-9-8-13(17)10-14(16)11(2)18/h8-10,12,15H,3-7H2,1-2H3
InChIKeyAVOGPRKNITYNDO-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.89
Rot. Bonds4

About 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone

1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone (PubChem CID 63862858) has the molecular formula C16H21ClO2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
PubChem CID63862858
Molecular FormulaC16H21ClO2
Molecular Weight280.80 g/mol
Exact Mass280.12
IUPAC Name1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
SMILESCCC1CCCCC1Oc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C16H21ClO2/c1-3-12-6-4-5-7-15(12)19-16-9-8-13(17)10-14(16)11(2)18/h8-10,12,15H,3-7H2,1-2H3
InChIKeyAVOGPRKNITYNDO-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 63094207
2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
CID 107014244
2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
CID 63862291
4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
CID 63862114
2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
CID 55252184
(2-ethylcyclohexyl) 2-acetylbenzoate
CID 123724053
4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
CID 63863945
[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
CID 43531169
[2-(2-ethylcyclohexyl)oxy-5-methylphenyl]methanol
CID 55251780
4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
CID 63357412

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone (CID 63862858) is 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone is CCC1CCCCC1Oc1ccc(Cl)cc1C(C)=O.
What is the InChIKey of 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone?
The InChIKey is AVOGPRKNITYNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-3-12-6-4-5-7-15(12)19-16-9-8-13(17)10-14(16)11(2)18/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone?
1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone has a molecular weight of 280.80 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone is sourced from PubChem (CID 63862858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).