1-(3-phenylphenoxy)propane-1,2-diol

C15H16O3 — CID 141410322

IUPAC1-(3-phenylphenoxy)propane-1,2-diol
SMILESCC(O)C(O)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C15H16O3/c1-11(16)15(17)18-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17H,1H3
InChIKeyUDXTWBHELUAGEX-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-phenylphenoxy)propane-1,2-diol

1-(3-phenylphenoxy)propane-1,2-diol (PubChem CID 141410322) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3-phenylphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-phenylphenoxy)propane-1,2-diol
PubChem CID141410322
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name1-(3-phenylphenoxy)propane-1,2-diol
SMILESCC(O)C(O)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C15H16O3/c1-11(16)15(17)18-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17H,1H3
InChIKeyUDXTWBHELUAGEX-UHFFFAOYSA-N
XLogP2.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.43
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

1-phenoxypropane-1,2-diol
CID 22140567
(3-phenylphenyl) N-propan-2-ylcarbamate
CID 11673293
4-(3-propan-2-yloxyphenyl)benzenethiol
CID 91656133
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
4-(3-phenylphenoxy)-2-propan-2-ylphenol
CID 21466339
1-phenoxybutane-1,2-diol
CID 19866542
1-phenoxyethanol
CID 66611531
2-[3-(2-methylphenyl)phenoxy]propanoic acid
CID 82044805
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
2-[3-(2-fluorophenyl)phenoxy]propanoic acid
CID 82044896
1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene
CID 90895465

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenoxy)propane-1,2-diol?
The IUPAC name of 1-(3-phenylphenoxy)propane-1,2-diol (CID 141410322) is 1-(3-phenylphenoxy)propane-1,2-diol.
What is the SMILES notation for 1-(3-phenylphenoxy)propane-1,2-diol?
The canonical SMILES for 1-(3-phenylphenoxy)propane-1,2-diol is CC(O)C(O)Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(3-phenylphenoxy)propane-1,2-diol?
The InChIKey is UDXTWBHELUAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11(16)15(17)18-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17H,1H3.
What are the key properties of 1-(3-phenylphenoxy)propane-1,2-diol?
1-(3-phenylphenoxy)propane-1,2-diol has a molecular weight of 244.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenoxy)propane-1,2-diol is sourced from PubChem (CID 141410322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).