1-(ethoxymethyl)-2-phenylcyclohexan-1-ol

C15H22O2 — CID 79566677

IUPAC1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
SMILESCCOCC1(O)CCCCC1c1ccccc1
InChIInChI=1S/C15H22O2/c1-2-17-12-15(16)11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3
InChIKeyJJEKRWCVRHEZMT-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.11
Rot. Bonds4

About 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol

1-(ethoxymethyl)-2-phenylcyclohexan-1-ol (PubChem CID 79566677) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
PubChem CID79566677
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
SMILESCCOCC1(O)CCCCC1c1ccccc1
InChIInChI=1S/C15H22O2/c1-2-17-12-15(16)11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3
InChIKeyJJEKRWCVRHEZMT-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol (CID 79566677) is 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol is CCOCC1(O)CCCCC1c1ccccc1.
What is the InChIKey of 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol?
The InChIKey is JJEKRWCVRHEZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-17-12-15(16)11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3.
What are the key properties of 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol?
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 79566677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).