3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one

C14H18O2 — CID 126606696

IUPAC3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one
SMILESCC(O)(c1ccccc1)C1CCCC(=O)C1
InChIInChI=1S/C14H18O2/c1-14(16,11-6-3-2-4-7-11)12-8-5-9-13(15)10-12/h2-4,6-7,12,16H,5,8-10H2,1H3
InChIKeyAKVMZDKNSPVWBG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.65
Rot. Bonds2

About 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one

3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one (PubChem CID 126606696) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one
PubChem CID126606696
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one
SMILESCC(O)(c1ccccc1)C1CCCC(=O)C1
InChIInChI=1S/C14H18O2/c1-14(16,11-6-3-2-4-7-11)12-8-5-9-13(15)10-12/h2-4,6-7,12,16H,5,8-10H2,1H3
InChIKeyAKVMZDKNSPVWBG-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one?
The IUPAC name of 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one (CID 126606696) is 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one.
What is the SMILES notation for 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one?
The canonical SMILES for 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one is CC(O)(c1ccccc1)C1CCCC(=O)C1.
What is the InChIKey of 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one?
The InChIKey is AKVMZDKNSPVWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(16,11-6-3-2-4-7-11)12-8-5-9-13(15)10-12/h2-4,6-7,12,16H,5,8-10H2,1H3.
What are the key properties of 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one?
3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-1-phenylethyl)cyclohexan-1-one is sourced from PubChem (CID 126606696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).