2-(2-phenylethyl)propane-1,2,3-triol

C11H16O3 — CID 67654093

IUPAC2-(2-phenylethyl)propane-1,2,3-triol
SMILESOCC(O)(CO)CCc1ccccc1
InChIInChI=1S/C11H16O3/c12-8-11(14,9-13)7-6-10-4-2-1-3-5-10/h1-5,12-14H,6-9H2
InChIKeyFDVCTDFCVYSUKZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.33
Rot. Bonds5

About 2-(2-phenylethyl)propane-1,2,3-triol

2-(2-phenylethyl)propane-1,2,3-triol (PubChem CID 67654093) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-phenylethyl)propane-1,2,3-triol.

Molecular Properties

Compound Name2-(2-phenylethyl)propane-1,2,3-triol
PubChem CID67654093
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(2-phenylethyl)propane-1,2,3-triol
SMILESOCC(O)(CO)CCc1ccccc1
InChIInChI=1S/C11H16O3/c12-8-11(14,9-13)7-6-10-4-2-1-3-5-10/h1-5,12-14H,6-9H2
InChIKeyFDVCTDFCVYSUKZ-UHFFFAOYSA-N
XLogP0.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol
CID 141207960
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
3-(azidomethyl)-1,5-diphenylpentan-3-ol
CID 22910028
2,2-dihydroxy-4-phenylbutanoic acid
CID 54448569
2-amino-1,4-diphenylbutan-2-ol
CID 67531215
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
4-hydroxy-4-(2-phenylethyl)heptan-2-one
CID 59072553
2-nitro-2-(2-phenylethyl)propane-1,3-diol
CID 66837691
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
benzene;2-phenylethylbenzene
CID 18982764
8,8,9,9,10,10,10-heptafluoro-6-(2-phenylethyl)decane-1,6-diol
CID 162347168
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)propane-1,2,3-triol?
The IUPAC name of 2-(2-phenylethyl)propane-1,2,3-triol (CID 67654093) is 2-(2-phenylethyl)propane-1,2,3-triol.
What is the SMILES notation for 2-(2-phenylethyl)propane-1,2,3-triol?
The canonical SMILES for 2-(2-phenylethyl)propane-1,2,3-triol is OCC(O)(CO)CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)propane-1,2,3-triol?
The InChIKey is FDVCTDFCVYSUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-8-11(14,9-13)7-6-10-4-2-1-3-5-10/h1-5,12-14H,6-9H2.
What are the key properties of 2-(2-phenylethyl)propane-1,2,3-triol?
2-(2-phenylethyl)propane-1,2,3-triol has a molecular weight of 196.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)propane-1,2,3-triol is sourced from PubChem (CID 67654093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).