1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone

C16H22O3 — CID 23516450

IUPAC1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(C2CCCCC2)cc(C(C)=O)c1O
InChIInChI=1S/C16H22O3/c1-11(17)15-9-13(12-6-4-3-5-7-12)8-14(10-19-2)16(15)18/h8-9,12,18H,3-7,10H2,1-2H3
InChIKeyDDENBEPQEQMODR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.79
Rot. Bonds4

About 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone

1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone (PubChem CID 23516450) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone
PubChem CID23516450
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(C2CCCCC2)cc(C(C)=O)c1O
InChIInChI=1S/C16H22O3/c1-11(17)15-9-13(12-6-4-3-5-7-12)8-14(10-19-2)16(15)18/h8-9,12,18H,3-7,10H2,1-2H3
InChIKeyDDENBEPQEQMODR-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone (CID 23516450) is 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone is COCc1cc(C2CCCCC2)cc(C(C)=O)c1O.
What is the InChIKey of 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone?
The InChIKey is DDENBEPQEQMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(17)15-9-13(12-6-4-3-5-7-12)8-14(10-19-2)16(15)18/h8-9,12,18H,3-7,10H2,1-2H3.
What are the key properties of 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone?
1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclohexyl-2-hydroxy-3-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 23516450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).