(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone

C17H24O3 — CID 116747778

IUPAC(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)C1(OCC)CCCC1
InChIInChI=1S/C17H24O3/c1-3-13-19-15-10-6-5-9-14(15)16(18)17(20-4-2)11-7-8-12-17/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeyGAESZPJFKNQLLM-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.01
Rot. Bonds7

About (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone

(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone (PubChem CID 116747778) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
PubChem CID116747778
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)C1(OCC)CCCC1
InChIInChI=1S/C17H24O3/c1-3-13-19-15-10-6-5-9-14(15)16(18)17(20-4-2)11-7-8-12-17/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeyGAESZPJFKNQLLM-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone
CID 105128593
(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116747862
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone
CID 116747833
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
CID 103458373

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone (CID 116747778) is (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)C1(OCC)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone?
The InChIKey is GAESZPJFKNQLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-13-19-15-10-6-5-9-14(15)16(18)17(20-4-2)11-7-8-12-17/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone?
(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 116747778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).