(3-methylcyclohexyl) 2-phenoxyacetate

C15H20O3 — CID 78838655

IUPAC(3-methylcyclohexyl) 2-phenoxyacetate
SMILESCC1CCCC(OC(=O)COc2ccccc2)C1
InChIInChI=1S/C15H20O3/c1-12-6-5-9-14(10-12)18-15(16)11-17-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3
InChIKeyMPAKVFYBYJTREE-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.19
Rot. Bonds4

About (3-methylcyclohexyl) 2-phenoxyacetate

(3-methylcyclohexyl) 2-phenoxyacetate (PubChem CID 78838655) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (3-methylcyclohexyl) 2-phenoxyacetate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 2-phenoxyacetate
PubChem CID78838655
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(3-methylcyclohexyl) 2-phenoxyacetate
SMILESCC1CCCC(OC(=O)COc2ccccc2)C1
InChIInChI=1S/C15H20O3/c1-12-6-5-9-14(10-12)18-15(16)11-17-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3
InChIKeyMPAKVFYBYJTREE-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylcyclohexyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 78770616
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
(3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate
CID 107339974
(3-methylcyclohexyl) 2-(methylamino)-3-phenylpropanoate
CID 145335677
2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide
CID 86948525
(3-methylcyclohexyl) 3-(3-aminophenyl)propanoate
CID 80701584
(3-methylcyclohexyl) 2,4-dimethyl-5-phenylpentanoate
CID 90915141
(3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate
CID 61301735
(3-methylcyclohexyl) 2-(4-chloroanilino)acetate
CID 61303304
(3-methylcyclohexyl) 4-methylpentanoate
CID 123314054
cyclohexyl 2-(4-chlorophenoxy)acetate
CID 836188
(3-methylcyclohexyl) 3-(4-cyanophenyl)propanoate
CID 78828916

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 2-phenoxyacetate?
The IUPAC name of (3-methylcyclohexyl) 2-phenoxyacetate (CID 78838655) is (3-methylcyclohexyl) 2-phenoxyacetate.
What is the SMILES notation for (3-methylcyclohexyl) 2-phenoxyacetate?
The canonical SMILES for (3-methylcyclohexyl) 2-phenoxyacetate is CC1CCCC(OC(=O)COc2ccccc2)C1.
What is the InChIKey of (3-methylcyclohexyl) 2-phenoxyacetate?
The InChIKey is MPAKVFYBYJTREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-12-6-5-9-14(10-12)18-15(16)11-17-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3.
What are the key properties of (3-methylcyclohexyl) 2-phenoxyacetate?
(3-methylcyclohexyl) 2-phenoxyacetate has a molecular weight of 248.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 2-phenoxyacetate is sourced from PubChem (CID 78838655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).