1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone

C14H18O3 — CID 104751881

IUPAC1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(CO)cc1)C1CCCC1
InChIInChI=1S/C14H18O3/c15-9-11-5-7-13(8-6-11)17-10-14(16)12-3-1-2-4-12/h5-8,12,15H,1-4,9-10H2
InChIKeyHOYBYLLAAGNFNQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.32
Rot. Bonds5

About 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone

1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone (PubChem CID 104751881) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
PubChem CID104751881
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(CO)cc1)C1CCCC1
InChIInChI=1S/C14H18O3/c15-9-11-5-7-13(8-6-11)17-10-14(16)12-3-1-2-4-12/h5-8,12,15H,1-4,9-10H2
InChIKeyHOYBYLLAAGNFNQ-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 104751852
2-(4-butylphenoxy)-1-cyclopentylethanone
CID 104752178
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
2-(4-butylphenoxy)-1-cyclopropylethanone
CID 115492850
propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate
CID 55664981
2-(4-bromo-3-methylphenoxy)-1-cyclopentylethanone
CID 104752208
N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 142212171
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone?
The IUPAC name of 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone (CID 104751881) is 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone is O=C(COc1ccc(CO)cc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone?
The InChIKey is HOYBYLLAAGNFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-9-11-5-7-13(8-6-11)17-10-14(16)12-3-1-2-4-12/h5-8,12,15H,1-4,9-10H2.
What are the key properties of 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone?
1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone has a molecular weight of 234.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone is sourced from PubChem (CID 104751881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).