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

C14H20O2 — CID 116540045

IUPAC3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol
SMILESCCOc1ccccc1C1(C)CCC(O)C1
InChIInChI=1S/C14H20O2/c1-3-16-13-7-5-4-6-12(13)14(2)9-8-11(15)10-14/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyBYVVQFJEPXJLRJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.89
Rot. Bonds3

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

3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol (PubChem CID 116540045) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol
PubChem CID116540045
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol
SMILESCCOc1ccccc1C1(C)CCC(O)C1
InChIInChI=1S/C14H20O2/c1-3-16-13-7-5-4-6-12(13)14(2)9-8-11(15)10-14/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyBYVVQFJEPXJLRJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol?
The IUPAC name of 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol (CID 116540045) is 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol is CCOc1ccccc1C1(C)CCC(O)C1.
What is the InChIKey of 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol?
The InChIKey is BYVVQFJEPXJLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-16-13-7-5-4-6-12(13)14(2)9-8-11(15)10-14/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol?
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 116540045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).