1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol

C15H22O2 — CID 64514301

IUPAC1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol
SMILESCCOc1ccccc1C1(O)CCC(CC)C1
InChIInChI=1S/C15H22O2/c1-3-12-9-10-15(16,11-12)13-7-5-6-8-14(13)17-4-2/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyJPXCXCNNLJGROG-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds4

About 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol

1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol (PubChem CID 64514301) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol
PubChem CID64514301
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol
SMILESCCOc1ccccc1C1(O)CCC(CC)C1
InChIInChI=1S/C15H22O2/c1-3-12-9-10-15(16,11-12)13-7-5-6-8-14(13)17-4-2/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyJPXCXCNNLJGROG-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol
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Magreth-16a
CID 54592209
Magreth-17a
CID 54592211
Magreth-17b
CID 54592212
Magreth-18a
CID 54592213
1,2-Propanediol, 3-(o-ethylphenoxy)-
CID 98049

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol?
The IUPAC name of 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol (CID 64514301) is 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol is CCOc1ccccc1C1(O)CCC(CC)C1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol?
The InChIKey is JPXCXCNNLJGROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-12-9-10-15(16,11-12)13-7-5-6-8-14(13)17-4-2/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol?
1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol is sourced from PubChem (CID 64514301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).