2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol

C11H16O4 — CID 141207960

IUPAC2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol
SMILESOCC(O)(CO)CCc1ccc(O)cc1
InChIInChI=1S/C11H16O4/c12-7-11(15,8-13)6-5-9-1-3-10(14)4-2-9/h1-4,12-15H,5-8H2
InChIKeySCTMJKXXOQAGPA-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.04
Rot. Bonds5

About 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol

2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol (PubChem CID 141207960) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol
PubChem CID141207960
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol
SMILESOCC(O)(CO)CCc1ccc(O)cc1
InChIInChI=1S/C11H16O4/c12-7-11(15,8-13)6-5-9-1-3-10(14)4-2-9/h1-4,12-15H,5-8H2
InChIKeySCTMJKXXOQAGPA-UHFFFAOYSA-N
XLogP0.04
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-Pentylphenol
CID 6643
Bisphenol A
CID 6623
Dienestrol
CID 667476
Salicyl Alcohol
CID 5146
Tyrosol
CID 10393
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
4-Tert-octylphenol
CID 8814
Hydroxytyrosol
CID 82755
4,4'-Dihydroxybiphenyl
CID 7112
Bis(4-hydroxyphenyl)methane
CID 12111
4-Ethylphenol
CID 31242

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol (CID 141207960) is 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol is OCC(O)(CO)CCc1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol?
The InChIKey is SCTMJKXXOQAGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-7-11(15,8-13)6-5-9-1-3-10(14)4-2-9/h1-4,12-15H,5-8H2.
What are the key properties of 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol?
2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol has a molecular weight of 212.25 g/mol, XLogP of 0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol is sourced from PubChem (CID 141207960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).