(1-ethoxycyclopentyl)-(furan-3-yl)methanone

C12H16O3 — CID 116747796

IUPAC(1-ethoxycyclopentyl)-(furan-3-yl)methanone
SMILESCCOC1(C(=O)c2ccoc2)CCCC1
InChIInChI=1S/C12H16O3/c1-2-15-12(6-3-4-7-12)11(13)10-5-8-14-9-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyBBIMNLVKZZQGPV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.81
Rot. Bonds4

About (1-ethoxycyclopentyl)-(furan-3-yl)methanone

(1-ethoxycyclopentyl)-(furan-3-yl)methanone (PubChem CID 116747796) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(furan-3-yl)methanone
PubChem CID116747796
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(1-ethoxycyclopentyl)-(furan-3-yl)methanone
SMILESCCOC1(C(=O)c2ccoc2)CCCC1
InChIInChI=1S/C12H16O3/c1-2-15-12(6-3-4-7-12)11(13)10-5-8-14-9-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyBBIMNLVKZZQGPV-UHFFFAOYSA-N
XLogP2.81
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749625
furan-3-yl-(1-hydroxycycloheptyl)methanone
CID 103450360
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
CID 116748355
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
(4-ethylpiperidin-4-yl)-(furan-3-yl)methanone
CID 116568189
(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(furan-3-yl)methanone?
The IUPAC name of (1-ethoxycyclopentyl)-(furan-3-yl)methanone (CID 116747796) is (1-ethoxycyclopentyl)-(furan-3-yl)methanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-(furan-3-yl)methanone?
The canonical SMILES for (1-ethoxycyclopentyl)-(furan-3-yl)methanone is CCOC1(C(=O)c2ccoc2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(furan-3-yl)methanone?
The InChIKey is BBIMNLVKZZQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-15-12(6-3-4-7-12)11(13)10-5-8-14-9-10/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of (1-ethoxycyclopentyl)-(furan-3-yl)methanone?
(1-ethoxycyclopentyl)-(furan-3-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(furan-3-yl)methanone is sourced from PubChem (CID 116747796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).