(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone

C16H22O2 — CID 65407752

IUPAC(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
SMILESCCOc1ccc(C(=O)C2CCC(CC)C2)cc1
InChIInChI=1S/C16H22O2/c1-3-12-5-6-14(11-12)16(17)13-7-9-15(10-8-13)18-4-2/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyBGOLSXFMXBNHTL-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.09
Rot. Bonds5

About (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone

(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone (PubChem CID 65407752) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
PubChem CID65407752
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
SMILESCCOc1ccc(C(=O)C2CCC(CC)C2)cc1
InChIInChI=1S/C16H22O2/c1-3-12-5-6-14(11-12)16(17)13-7-9-15(10-8-13)18-4-2/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyBGOLSXFMXBNHTL-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
(4-ethoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171946940
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-ethoxyphenyl)methanone
CID 171946941
(4-ethoxyphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171946948
(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65393507
(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425688
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
(3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone
CID 114215551
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone (CID 65407752) is (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone is CCOc1ccc(C(=O)C2CCC(CC)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone?
The InChIKey is BGOLSXFMXBNHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-12-5-6-14(11-12)16(17)13-7-9-15(10-8-13)18-4-2/h7-10,12,14H,3-6,11H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone?
(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone is sourced from PubChem (CID 65407752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).