1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one

C17H24O3 — CID 116747836

IUPAC1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCCOC1(C(=O)CCc2ccc(OC)cc2)CCCC1
InChIInChI=1S/C17H24O3/c1-3-20-17(12-4-5-13-17)16(18)11-8-14-6-9-15(19-2)10-7-14/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeyZGCOLLMFXKHVBD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.55
Rot. Bonds7

About 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one

1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 116747836) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID116747836
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCCOC1(C(=O)CCc2ccc(OC)cc2)CCCC1
InChIInChI=1S/C17H24O3/c1-3-20-17(12-4-5-13-17)16(18)11-8-14-6-9-15(19-2)10-7-14/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeyZGCOLLMFXKHVBD-UHFFFAOYSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one
CID 116750532
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
1-(1-adamantyl)-3-(4-methoxyphenyl)propan-1-one
CID 135008863
4-(4-methoxyphenyl)-1-(1-propan-2-ylcyclobutyl)butan-1-one
CID 143822953
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one
CID 175624842
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
CID 143039549
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 116572753
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one (CID 116747836) is 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one is CCOC1(C(=O)CCc2ccc(OC)cc2)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is ZGCOLLMFXKHVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-20-17(12-4-5-13-17)16(18)11-8-14-6-9-15(19-2)10-7-14/h6-7,9-10H,3-5,8,11-13H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one?
1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 116747836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).