(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone

C17H24O2 — CID 116749984

IUPAC(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
SMILESCCOC1(C(=O)c2cccc(C)c2)CCCC(C)C1
InChIInChI=1S/C17H24O2/c1-4-19-17(10-6-8-14(3)12-17)16(18)15-9-5-7-13(2)11-15/h5,7,9,11,14H,4,6,8,10,12H2,1-3H3
InChIKeyPEKIKBMRCHAAEP-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.16
Rot. Bonds4

About (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone

(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone (PubChem CID 116749984) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
PubChem CID116749984
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
SMILESCCOC1(C(=O)c2cccc(C)c2)CCCC(C)C1
InChIInChI=1S/C17H24O2/c1-4-19-17(10-6-8-14(3)12-17)16(18)15-9-5-7-13(2)11-15/h5,7,9,11,14H,4,6,8,10,12H2,1-3H3
InChIKeyPEKIKBMRCHAAEP-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 116749993
(2,5-dichlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749899
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
CID 116749856
(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749281
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone (CID 116749984) is (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone is CCOC1(C(=O)c2cccc(C)c2)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone?
The InChIKey is PEKIKBMRCHAAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-19-17(10-6-8-14(3)12-17)16(18)15-9-5-7-13(2)11-15/h5,7,9,11,14H,4,6,8,10,12H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone?
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 116749984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).