anthracene;ethane-1,2-diol

C16H16O2 — CID 158405305

IUPACanthracene;ethane-1,2-diol
SMILESOCCO.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C2H6O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;3-1-2-4/h1-10H;3-4H,1-2H2
InChIKeyGYPOXGXZOXXNDW-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.96
Rot. Bonds1

About anthracene;ethane-1,2-diol

anthracene;ethane-1,2-diol (PubChem CID 158405305) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is anthracene;ethane-1,2-diol.

Molecular Properties

Compound Nameanthracene;ethane-1,2-diol
PubChem CID158405305
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Nameanthracene;ethane-1,2-diol
SMILESOCCO.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C2H6O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;3-1-2-4/h1-10H;3-4H,1-2H2
InChIKeyGYPOXGXZOXXNDW-UHFFFAOYSA-N
XLogP2.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracene;ethane-1,2-diol?
The IUPAC name of anthracene;ethane-1,2-diol (CID 158405305) is anthracene;ethane-1,2-diol.
What is the SMILES notation for anthracene;ethane-1,2-diol?
The canonical SMILES for anthracene;ethane-1,2-diol is OCCO.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;ethane-1,2-diol?
The InChIKey is GYPOXGXZOXXNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C2H6O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;3-1-2-4/h1-10H;3-4H,1-2H2.
What are the key properties of anthracene;ethane-1,2-diol?
anthracene;ethane-1,2-diol has a molecular weight of 240.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;ethane-1,2-diol is sourced from PubChem (CID 158405305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).