1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone

C18H25ClO2 — CID 43798255

IUPAC1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
SMILESCC1CCC(C(C)C)C(OCC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C18H25ClO2/c1-12(2)14-9-8-13(3)10-18(14)21-11-17(20)15-6-4-5-7-16(15)19/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeyZUQLTLXQOPSJDF-UHFFFAOYSA-N
MW308.85 g/mol
LogP5.00
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone

1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone (PubChem CID 43798255) has the molecular formula C18H25ClO2 and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
PubChem CID43798255
Molecular FormulaC18H25ClO2
Molecular Weight308.85 g/mol
Exact Mass308.15
IUPAC Name1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
SMILESCC1CCC(C(C)C)C(OCC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C18H25ClO2/c1-12(2)14-9-8-13(3)10-18(14)21-11-17(20)15-6-4-5-7-16(15)19/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeyZUQLTLXQOPSJDF-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.85
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
(5-methyl-2-propan-2-ylcyclohexyl) 2-chlorobenzoate
CID 71594437
1-(2,5-dichlorothiophen-3-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
CID 43798250
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide
CID 167875838
N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide
CID 166206981
[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2358301

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone (CID 43798255) is 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone is CC1CCC(C(C)C)C(OCC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
The InChIKey is ZUQLTLXQOPSJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO2/c1-12(2)14-9-8-13(3)10-18(14)21-11-17(20)15-6-4-5-7-16(15)19/h4-7,12-14,18H,8-11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone has a molecular weight of 308.85 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone is sourced from PubChem (CID 43798255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).