[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone

C14H18O3 — CID 116922560

IUPAC[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2(CO)COC2)cc1
InChIInChI=1S/C14H18O3/c1-2-3-11-4-6-12(7-5-11)13(16)14(8-15)9-17-10-14/h4-7,15H,2-3,8-10H2,1H3
InChIKeyHFMGWJLCSWWRBE-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.83
Rot. Bonds5

About [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone

[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone (PubChem CID 116922560) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
PubChem CID116922560
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2(CO)COC2)cc1
InChIInChI=1S/C14H18O3/c1-2-3-11-4-6-12(7-5-11)13(16)14(8-15)9-17-10-14/h4-7,15H,2-3,8-10H2,1H3
InChIKeyHFMGWJLCSWWRBE-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922574
[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116996913
3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248420
(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569053
ethane;4-propylbenzoic acid
CID 91047964
[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
CID 116875139
3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid
CID 116872106
1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one
CID 116873804
(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922620
1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184056
3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
CID 115185456
[3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone
CID 116922663

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone?
The IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone (CID 116922560) is [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone is CCCc1ccc(C(=O)C2(CO)COC2)cc1.
What is the InChIKey of [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone?
The InChIKey is HFMGWJLCSWWRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-3-11-4-6-12(7-5-11)13(16)14(8-15)9-17-10-14/h4-7,15H,2-3,8-10H2,1H3.
What are the key properties of [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone?
[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone has a molecular weight of 234.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone is sourced from PubChem (CID 116922560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).