1-(2-phenylethoxy)propane-1,2-diol

C11H16O3 — CID 140994820

IUPAC1-(2-phenylethoxy)propane-1,2-diol
SMILESCC(O)C(O)OCCc1ccccc1
InChIInChI=1S/C11H16O3/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKeyJCAOFUTYCCGDAH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.94
Rot. Bonds5

About 1-(2-phenylethoxy)propane-1,2-diol

1-(2-phenylethoxy)propane-1,2-diol (PubChem CID 140994820) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2-phenylethoxy)propane-1,2-diol.

Molecular Properties

Compound Name1-(2-phenylethoxy)propane-1,2-diol
PubChem CID140994820
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(2-phenylethoxy)propane-1,2-diol
SMILESCC(O)C(O)OCCc1ccccc1
InChIInChI=1S/C11H16O3/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKeyJCAOFUTYCCGDAH-UHFFFAOYSA-N
XLogP0.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-1-(2-phenylethoxy)propyl]-trimethylazanium chloride
CID 66978062
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
butane-2,3-diol;2-phenylethanol
CID 175116943
1-(2-phenylethoxy)butane-2,3-diol
CID 175116942
3-(2-phenylethoxy)butanoic acid
CID 43536152
N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
CID 115001394
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
N-[2-(2-phenylethoxy)propyl]butan-2-amine
CID 115002170
2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
2-(1-butoxypropoxy)ethylbenzene
CID 71445945
4-(3-phenylpropoxy)pentan-2-ol
CID 64720180
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethoxy)propane-1,2-diol?
The IUPAC name of 1-(2-phenylethoxy)propane-1,2-diol (CID 140994820) is 1-(2-phenylethoxy)propane-1,2-diol.
What is the SMILES notation for 1-(2-phenylethoxy)propane-1,2-diol?
The canonical SMILES for 1-(2-phenylethoxy)propane-1,2-diol is CC(O)C(O)OCCc1ccccc1.
What is the InChIKey of 1-(2-phenylethoxy)propane-1,2-diol?
The InChIKey is JCAOFUTYCCGDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3.
What are the key properties of 1-(2-phenylethoxy)propane-1,2-diol?
1-(2-phenylethoxy)propane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethoxy)propane-1,2-diol is sourced from PubChem (CID 140994820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).