1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone

C18H25FO2 — CID 114347390

IUPAC1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2C)CCCCCC1
InChIInChI=1S/C18H25FO2/c1-3-21-18(10-6-4-5-7-11-18)17(20)13-15-8-9-16(19)12-14(15)2/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyAPLIJLDYJSBNSM-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.38
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone

1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 114347390) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID114347390
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2C)CCCCCC1
InChIInChI=1S/C18H25FO2/c1-3-21-18(10-6-4-5-7-11-18)17(20)13-15-8-9-16(19)12-14(15)2/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyAPLIJLDYJSBNSM-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
1-[1-(dimethylamino)cycloheptyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347296
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
1-[1-(dimethylamino)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347290
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
1-[1-(aminomethyl)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350494
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116747686
2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749944
2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748785

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone (CID 114347390) is 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone is CCOC1(C(=O)Cc2ccc(F)cc2C)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is APLIJLDYJSBNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-3-21-18(10-6-4-5-7-11-18)17(20)13-15-8-9-16(19)12-14(15)2/h8-9,12H,3-7,10-11,13H2,1-2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone?
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 292.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 114347390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).