2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol

C18H18O2 — CID 87369828

IUPAC2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol
SMILESOCCc1cc(CCO)c2cc3ccccc3cc2c1
InChIInChI=1S/C18H18O2/c19-7-5-13-9-16(6-8-20)18-12-15-4-2-1-3-14(15)11-17(18)10-13/h1-4,9-12,19-20H,5-8H2
InChIKeyWCIBDDPMSSFULG-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol

2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol (PubChem CID 87369828) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol
PubChem CID87369828
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol
SMILESOCCc1cc(CCO)c2cc3ccccc3cc2c1
InChIInChI=1S/C18H18O2/c19-7-5-13-9-16(6-8-20)18-12-15-4-2-1-3-14(15)11-17(18)10-13/h1-4,9-12,19-20H,5-8H2
InChIKeyWCIBDDPMSSFULG-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol 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-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol (CID 87369828) is 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol is OCCc1cc(CCO)c2cc3ccccc3cc2c1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol?
The InChIKey is WCIBDDPMSSFULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-7-5-13-9-16(6-8-20)18-12-15-4-2-1-3-14(15)11-17(18)10-13/h1-4,9-12,19-20H,5-8H2.
What are the key properties of 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol?
2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol is sourced from PubChem (CID 87369828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).