3-(4-phenylbutyl)oxetan-3-ol

C13H18O2 — CID 86699932

IUPAC3-(4-phenylbutyl)oxetan-3-ol
SMILESOC1(CCCCc2ccccc2)COC1
InChIInChI=1S/C13H18O2/c14-13(10-15-11-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyRULMREMRVZDYJB-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.16
Rot. Bonds5

About 3-(4-phenylbutyl)oxetan-3-ol

3-(4-phenylbutyl)oxetan-3-ol (PubChem CID 86699932) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(4-phenylbutyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(4-phenylbutyl)oxetan-3-ol
PubChem CID86699932
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-(4-phenylbutyl)oxetan-3-ol
SMILESOC1(CCCCc2ccccc2)COC1
InChIInChI=1S/C13H18O2/c14-13(10-15-11-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyRULMREMRVZDYJB-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenylethyl)oxetan-3-ol
CID 83683318
4-phenylbutylbenzene
CID 141301927
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
2-(3-phenylpropyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65146680
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol
CID 65145717
1-(2-phenylethyl)cyclopent-3-en-1-ol
CID 139771599
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylbutyl)oxetan-3-ol?
The IUPAC name of 3-(4-phenylbutyl)oxetan-3-ol (CID 86699932) is 3-(4-phenylbutyl)oxetan-3-ol.
What is the SMILES notation for 3-(4-phenylbutyl)oxetan-3-ol?
The canonical SMILES for 3-(4-phenylbutyl)oxetan-3-ol is OC1(CCCCc2ccccc2)COC1.
What is the InChIKey of 3-(4-phenylbutyl)oxetan-3-ol?
The InChIKey is RULMREMRVZDYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-13(10-15-11-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2.
What are the key properties of 3-(4-phenylbutyl)oxetan-3-ol?
3-(4-phenylbutyl)oxetan-3-ol has a molecular weight of 206.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylbutyl)oxetan-3-ol is sourced from PubChem (CID 86699932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).