(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone

C14H20O2S — CID 116749917

IUPAC(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
SMILESCCOC1(C(=O)c2cccs2)CCCC(C)C1
InChIInChI=1S/C14H20O2S/c1-3-16-14(8-4-6-11(2)10-14)13(15)12-7-5-9-17-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyHAEQTFXEIDQDMC-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.92
Rot. Bonds4

About (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone

(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone (PubChem CID 116749917) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
PubChem CID116749917
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
SMILESCCOC1(C(=O)c2cccs2)CCCC(C)C1
InChIInChI=1S/C14H20O2S/c1-3-16-14(8-4-6-11(2)10-14)13(15)12-7-5-9-17-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyHAEQTFXEIDQDMC-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
(1-methoxycyclobutyl)-thiophen-2-ylmethanone
CID 116707010
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
CID 116749812
(2,5-dichlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanone
CID 116749899
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
1-(1-ethoxy-3-methylcyclohexyl)prop-2-en-1-one
CID 116749931
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
CID 116749856
(1-methoxycycloheptyl)-thiophen-2-ylmethanone
CID 116750550
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 116749993
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone (CID 116749917) is (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone is CCOC1(C(=O)c2cccs2)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone?
The InChIKey is HAEQTFXEIDQDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-3-16-14(8-4-6-11(2)10-14)13(15)12-7-5-9-17-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone?
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone has a molecular weight of 252.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 116749917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).