1-(2-ethoxyphenyl)cycloheptan-1-ol

C15H22O2 — CID 55120332

IUPAC1-(2-ethoxyphenyl)cycloheptan-1-ol
SMILESCCOc1ccccc1C1(O)CCCCCC1
InChIInChI=1S/C15H22O2/c1-2-17-14-10-6-5-9-13(14)15(16)11-7-3-4-8-12-15/h5-6,9-10,16H,2-4,7-8,11-12H2,1H3
InChIKeyQGWOFWZGRVSFJH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-ethoxyphenyl)cycloheptan-1-ol

1-(2-ethoxyphenyl)cycloheptan-1-ol (PubChem CID 55120332) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)cycloheptan-1-ol
PubChem CID55120332
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(2-ethoxyphenyl)cycloheptan-1-ol
SMILESCCOc1ccccc1C1(O)CCCCCC1
InChIInChI=1S/C15H22O2/c1-2-17-14-10-6-5-9-13(14)15(16)11-7-3-4-8-12-15/h5-6,9-10,16H,2-4,7-8,11-12H2,1H3
InChIKeyQGWOFWZGRVSFJH-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 171961327
[1-(2-ethoxyphenyl)cyclopropyl]methanol
CID 105425266
3-(2-ethoxyphenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171961329
1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
CID 62789057
1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 55115980
4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
CID 104658769
5-(2-ethoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 62802871
1-ethyl-4-(2-propoxyphenyl)piperidin-4-ol
CID 104658514
1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
CID 80610107
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol
CID 116540045

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)cycloheptan-1-ol?
The IUPAC name of 1-(2-ethoxyphenyl)cycloheptan-1-ol (CID 55120332) is 1-(2-ethoxyphenyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(2-ethoxyphenyl)cycloheptan-1-ol?
The canonical SMILES for 1-(2-ethoxyphenyl)cycloheptan-1-ol is CCOc1ccccc1C1(O)CCCCCC1.
What is the InChIKey of 1-(2-ethoxyphenyl)cycloheptan-1-ol?
The InChIKey is QGWOFWZGRVSFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-17-14-10-6-5-9-13(14)15(16)11-7-3-4-8-12-15/h5-6,9-10,16H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)cycloheptan-1-ol?
1-(2-ethoxyphenyl)cycloheptan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)cycloheptan-1-ol is sourced from PubChem (CID 55120332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).