2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C19H26O5 — CID 67790106

IUPAC2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.OCCOCCO
InChIInChI=1S/C15H16O2.C4H10O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;5-1-3-7-4-2-6/h3-10,16-17H,1-2H3;5-6H,1-4H2
InChIKeyDPCAZQNTIHFCNM-UHFFFAOYSA-N
MW334.41 g/mol
LogP2.41
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 67790106) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID67790106
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.OCCOCCO
InChIInChI=1S/C15H16O2.C4H10O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;5-1-3-7-4-2-6/h3-10,16-17H,1-2H3;5-6H,1-4H2
InChIKeyDPCAZQNTIHFCNM-UHFFFAOYSA-N
XLogP2.41
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 67790106) is 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is DPCAZQNTIHFCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C4H10O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;5-1-3-7-4-2-6/h3-10,16-17H,1-2H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 334.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 67790106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).