2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol

C17H20O4 — CID 122513032

IUPAC2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol
SMILESOCCc1cc(Cc2ccc(O)cc2CCO)ccc1O
InChIInChI=1S/C17H20O4/c18-7-5-14-11-16(20)3-2-13(14)9-12-1-4-17(21)15(10-12)6-8-19/h1-4,10-11,18-21H,5-9H2
InChIKeyHZFZWAXZRRDNSC-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.76
Rot. Bonds6

About 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol

2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol (PubChem CID 122513032) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol
PubChem CID122513032
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol
SMILESOCCc1cc(Cc2ccc(O)cc2CCO)ccc1O
InChIInChI=1S/C17H20O4/c18-7-5-14-11-16(20)3-2-13(14)9-12-1-4-17(21)15(10-12)6-8-19/h1-4,10-11,18-21H,5-9H2
InChIKeyHZFZWAXZRRDNSC-UHFFFAOYSA-N
XLogP1.76
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol?
The IUPAC name of 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol (CID 122513032) is 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol?
The canonical SMILES for 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol is OCCc1cc(Cc2ccc(O)cc2CCO)ccc1O.
What is the InChIKey of 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol?
The InChIKey is HZFZWAXZRRDNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c18-7-5-14-11-16(20)3-2-13(14)9-12-1-4-17(21)15(10-12)6-8-19/h1-4,10-11,18-21H,5-9H2.
What are the key properties of 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol?
2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol has a molecular weight of 288.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-[[4-hydroxy-2-(2-hydroxyethyl)phenyl]methyl]phenol is sourced from PubChem (CID 122513032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).