[1-(3-phenylmethoxypropyl)cyclobutyl]methanol

C15H22O2 — CID 11264817

IUPAC[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
SMILESOCC1(CCCOCc2ccccc2)CCC1
InChIInChI=1S/C15H22O2/c16-13-15(8-4-9-15)10-5-11-17-12-14-6-2-1-3-7-14/h1-3,6-7,16H,4-5,8-13H2
InChIKeyBYGCJEATXGVRGX-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.15
Rot. Bonds7

About [1-(3-phenylmethoxypropyl)cyclobutyl]methanol

[1-(3-phenylmethoxypropyl)cyclobutyl]methanol (PubChem CID 11264817) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-(3-phenylmethoxypropyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
PubChem CID11264817
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
SMILESOCC1(CCCOCc2ccccc2)CCC1
InChIInChI=1S/C15H22O2/c16-13-15(8-4-9-15)10-5-11-17-12-14-6-2-1-3-7-14/h1-3,6-7,16H,4-5,8-13H2
InChIKeyBYGCJEATXGVRGX-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.15
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-[1-(2-phenylmethoxyethyl)cyclohexyl]ethanol
CID 59714985
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
CID 130536844
2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
CID 142666822
3-[1-(bromomethyl)-3-methylcyclobutyl]propoxymethylbenzene
CID 165445921
(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol
CID 131850860
ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
CID 142267765
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide
CID 173103378
(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955
8,8-dioxo-3-(3-phenylmethoxypropyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171963344

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylmethoxypropyl)cyclobutyl]methanol?
The IUPAC name of [1-(3-phenylmethoxypropyl)cyclobutyl]methanol (CID 11264817) is [1-(3-phenylmethoxypropyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(3-phenylmethoxypropyl)cyclobutyl]methanol?
The canonical SMILES for [1-(3-phenylmethoxypropyl)cyclobutyl]methanol is OCC1(CCCOCc2ccccc2)CCC1.
What is the InChIKey of [1-(3-phenylmethoxypropyl)cyclobutyl]methanol?
The InChIKey is BYGCJEATXGVRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-13-15(8-4-9-15)10-5-11-17-12-14-6-2-1-3-7-14/h1-3,6-7,16H,4-5,8-13H2.
What are the key properties of [1-(3-phenylmethoxypropyl)cyclobutyl]methanol?
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylmethoxypropyl)cyclobutyl]methanol is sourced from PubChem (CID 11264817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).