(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone

C17H24O2 — CID 116748270

IUPAC(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
SMILESCCOC1(C(=O)c2cccc(CC)c2)CCCCC1
InChIInChI=1S/C17H24O2/c1-3-14-9-8-10-15(13-14)16(18)17(19-4-2)11-6-5-7-12-17/h8-10,13H,3-7,11-12H2,1-2H3
InChIKeyUNTSZFIPWPVYCM-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.17
Rot. Bonds5

About (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone

(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone (PubChem CID 116748270) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
PubChem CID116748270
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
SMILESCCOC1(C(=O)c2cccc(CC)c2)CCCCC1
InChIInChI=1S/C17H24O2/c1-3-14-9-8-10-15(13-14)16(18)17(19-4-2)11-6-5-7-12-17/h8-10,13H,3-7,11-12H2,1-2H3
InChIKeyUNTSZFIPWPVYCM-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
(1-ethoxycyclopentyl)-(furan-3-yl)methanone
CID 116747796
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone?
The IUPAC name of (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone (CID 116748270) is (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone.
What is the SMILES notation for (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone?
The canonical SMILES for (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone is CCOC1(C(=O)c2cccc(CC)c2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone?
The InChIKey is UNTSZFIPWPVYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-14-9-8-10-15(13-14)16(18)17(19-4-2)11-6-5-7-12-17/h8-10,13H,3-7,11-12H2,1-2H3.
What are the key properties of (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone?
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(3-ethylphenyl)methanone is sourced from PubChem (CID 116748270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).