[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol

C16H22O3 — CID 116875139

IUPAC[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
SMILESCCCc1ccc(C2(C3(CO)COC3)COC2)cc1
InChIInChI=1S/C16H22O3/c1-2-3-13-4-6-14(7-5-13)16(11-19-12-16)15(8-17)9-18-10-15/h4-7,17H,2-3,8-12H2,1H3
InChIKeyLPRHQOVPIZRLGF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds5

About [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol

[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol (PubChem CID 116875139) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
PubChem CID116875139
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
SMILESCCCc1ccc(C2(C3(CO)COC3)COC2)cc1
InChIInChI=1S/C16H22O3/c1-2-3-13-4-6-14(7-5-13)16(11-19-12-16)15(8-17)9-18-10-15/h4-7,17H,2-3,8-12H2,1H3
InChIKeyLPRHQOVPIZRLGF-UHFFFAOYSA-N
XLogP1.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol
CID 116874719
3-[3-(4-propylphenyl)oxetan-3-yl]butanoic acid
CID 116872106
[1-[(4-propylphenyl)methyl]cyclopropyl]methanol
CID 116928838
[3-(4-propylphenyl)oxetan-3-yl]methanamine
CID 116829594
1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one
CID 116873804
[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
CID 116922560
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane
CID 82117470
3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248420
4-(4-propylphenyl)oxepan-4-ol
CID 65080658

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol?
The IUPAC name of [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol (CID 116875139) is [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol is CCCc1ccc(C2(C3(CO)COC3)COC2)cc1.
What is the InChIKey of [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol?
The InChIKey is LPRHQOVPIZRLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-2-3-13-4-6-14(7-5-13)16(11-19-12-16)15(8-17)9-18-10-15/h4-7,17H,2-3,8-12H2,1H3.
What are the key properties of [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol?
[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol has a molecular weight of 262.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol is sourced from PubChem (CID 116875139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).