1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone

C17H23FO3 — CID 116748238

IUPAC1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(OC)c(F)c2)CCCCC1
InChIInChI=1S/C17H23FO3/c1-3-21-17(9-5-4-6-10-17)16(19)12-13-7-8-15(20-2)14(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyOTLZOIPVXMQLAG-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.69
Rot. Bonds6

About 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone

1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 116748238) has the molecular formula C17H23FO3 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID116748238
Molecular FormulaC17H23FO3
Molecular Weight294.37 g/mol
Exact Mass294.16
IUPAC Name1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(OC)c(F)c2)CCCCC1
InChIInChI=1S/C17H23FO3/c1-3-21-17(9-5-4-6-10-17)16(19)12-13-7-8-15(20-2)14(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyOTLZOIPVXMQLAG-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685144
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748406
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone
CID 114966156
1-[1-(aminomethyl)cyclopropyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116601105
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
2-(3-fluoro-4-methoxyphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116569863
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone (CID 116748238) is 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone is CCOC1(C(=O)Cc2ccc(OC)c(F)c2)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is OTLZOIPVXMQLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO3/c1-3-21-17(9-5-4-6-10-17)16(19)12-13-7-8-15(20-2)14(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 294.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 116748238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).