3-(4-phenylbutyl)oxan-4-ol

C15H22O2 — CID 106471164

IUPAC3-(4-phenylbutyl)oxan-4-ol
SMILESOC1CCOCC1CCCCc1ccccc1
InChIInChI=1S/C15H22O2/c16-15-10-11-17-12-14(15)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2
InChIKeyLBRXHKJJWDZEPO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.80
Rot. Bonds5

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

3-(4-phenylbutyl)oxan-4-ol (PubChem CID 106471164) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(4-phenylbutyl)oxan-4-ol.

Molecular Properties

Compound Name3-(4-phenylbutyl)oxan-4-ol
PubChem CID106471164
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(4-phenylbutyl)oxan-4-ol
SMILESOC1CCOCC1CCCCc1ccccc1
InChIInChI=1S/C15H22O2/c16-15-10-11-17-12-14(15)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2
InChIKeyLBRXHKJJWDZEPO-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.80
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

2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
CID 142188842
3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 114334467
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
4-cyclopropylbutylbenzene
CID 10261592
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867
N-[2-(oxolan-3-yl)ethyl]-3-phenylpropan-1-amine
CID 102671288
5-cyclopropylpentylbenzene
CID 91089836
2-(3-phenylpropyl)-1,4-dioxane
CID 100963956
3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol
CID 106471139
2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol
CID 142188732
N-(4-phenylbutyl)oxan-4-amine
CID 115651772

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylbutyl)oxan-4-ol?
The IUPAC name of 3-(4-phenylbutyl)oxan-4-ol (CID 106471164) is 3-(4-phenylbutyl)oxan-4-ol.
What is the SMILES notation for 3-(4-phenylbutyl)oxan-4-ol?
The canonical SMILES for 3-(4-phenylbutyl)oxan-4-ol is OC1CCOCC1CCCCc1ccccc1.
What is the InChIKey of 3-(4-phenylbutyl)oxan-4-ol?
The InChIKey is LBRXHKJJWDZEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-15-10-11-17-12-14(15)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2.
What are the key properties of 3-(4-phenylbutyl)oxan-4-ol?
3-(4-phenylbutyl)oxan-4-ol has a molecular weight of 234.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylbutyl)oxan-4-ol is sourced from PubChem (CID 106471164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).