(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone

C15H19FO3 — CID 116747941

IUPAC(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCCOC1(C(=O)c2cc(F)ccc2OC)CCCC1
InChIInChI=1S/C15H19FO3/c1-3-19-15(8-4-5-9-15)14(17)12-10-11(16)6-7-13(12)18-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyCEMXABCSJWPFTP-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.37
Rot. Bonds5

About (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone

(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 116747941) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID116747941
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCCOC1(C(=O)c2cc(F)ccc2OC)CCCC1
InChIInChI=1S/C15H19FO3/c1-3-19-15(8-4-5-9-15)14(17)12-10-11(16)6-7-13(12)18-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyCEMXABCSJWPFTP-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921717
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116748849
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
CID 116747778

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone (CID 116747941) is (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone is CCOC1(C(=O)c2cc(F)ccc2OC)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is CEMXABCSJWPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-3-19-15(8-4-5-9-15)14(17)12-10-11(16)6-7-13(12)18-2/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone?
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 266.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 116747941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).