3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol

C15H22O4 — CID 14395384

IUPAC3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
SMILESOCCCC1(CCOCc2ccccc2)OCCO1
InChIInChI=1S/C15H22O4/c16-9-4-7-15(18-11-12-19-15)8-10-17-13-14-5-2-1-3-6-14/h1-3,5-6,16H,4,7-13H2
InChIKeySZDJZRZAMXPLOD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.11
Rot. Bonds8

About 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol

3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol (PubChem CID 14395384) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
PubChem CID14395384
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
SMILESOCCCC1(CCOCc2ccccc2)OCCO1
InChIInChI=1S/C15H22O4/c16-9-4-7-15(18-11-12-19-15)8-10-17-13-14-5-2-1-3-6-14/h1-3,5-6,16H,4,7-13H2
InChIKeySZDJZRZAMXPLOD-UHFFFAOYSA-N
XLogP2.11
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 142703154
2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 101039125
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
2-[1-(2-phenylmethoxyethyl)cyclohexyl]ethanol
CID 59714985
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
2-methyl-2-(2-phenylmethoxyethyl)oxolane
CID 151587954
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817
(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
CID 102021945
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol (CID 14395384) is 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol is OCCCC1(CCOCc2ccccc2)OCCO1.
What is the InChIKey of 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol?
The InChIKey is SZDJZRZAMXPLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c16-9-4-7-15(18-11-12-19-15)8-10-17-13-14-5-2-1-3-6-14/h1-3,5-6,16H,4,7-13H2.
What are the key properties of 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol?
3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol is sourced from PubChem (CID 14395384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).