3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one

C14H18O2 — CID 116538437

IUPAC3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one
SMILESCCOc1ccccc1C1(C)CCC(=O)C1
InChIInChI=1S/C14H18O2/c1-3-16-13-7-5-4-6-12(13)14(2)9-8-11(15)10-14/h4-7H,3,8-10H2,1-2H3
InChIKeyCSERAOOMCUEDCY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.10
Rot. Bonds3

About 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one

3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one (PubChem CID 116538437) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one
PubChem CID116538437
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one
SMILESCCOc1ccccc1C1(C)CCC(=O)C1
InChIInChI=1S/C14H18O2/c1-3-16-13-7-5-4-6-12(13)14(2)9-8-11(15)10-14/h4-7H,3,8-10H2,1-2H3
InChIKeyCSERAOOMCUEDCY-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-diethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538472
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol
CID 116540045
2-(2-ethoxyphenyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 62801884
[1-(2-ethoxyphenyl)cyclopropyl]methanol
CID 105425266
2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine
CID 62800564
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 62802871
3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
CID 116538548
1-[2-(bromomethyl)-1-methylcyclopropyl]-2-ethoxybenzene
CID 81351636
2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778352
(3S)-1-chloro-3-(2-ethoxyphenyl)-3-hydroxyindol-2-one
CID 90849245
3-methyl-3-naphthalen-2-ylcyclopentan-1-one
CID 116538503

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one?
The IUPAC name of 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one (CID 116538437) is 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one is CCOc1ccccc1C1(C)CCC(=O)C1.
What is the InChIKey of 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one?
The InChIKey is CSERAOOMCUEDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-16-13-7-5-4-6-12(13)14(2)9-8-11(15)10-14/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one?
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one is sourced from PubChem (CID 116538437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).