anthracene-1,8-diol

C14H10O2 — CID 19786014

IUPACanthracene-1,8-diol
SMILESOc1cccc2cc3cccc(O)c3cc12
InChIInChI=1S/C14H10O2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13/h1-8,15-16H
InChIKeyWUDFEXSJURUGSD-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.40
Rot. Bonds

About anthracene-1,8-diol

anthracene-1,8-diol (PubChem CID 19786014) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is anthracene-1,8-diol.

Molecular Properties

Compound Nameanthracene-1,8-diol
PubChem CID19786014
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Nameanthracene-1,8-diol
SMILESOc1cccc2cc3cccc(O)c3cc12
InChIInChI=1S/C14H10O2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13/h1-8,15-16H
InChIKeyWUDFEXSJURUGSD-UHFFFAOYSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.40
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-1,8-diol?
The IUPAC name of anthracene-1,8-diol (CID 19786014) is anthracene-1,8-diol.
What is the SMILES notation for anthracene-1,8-diol?
The canonical SMILES for anthracene-1,8-diol is Oc1cccc2cc3cccc(O)c3cc12.
What is the InChIKey of anthracene-1,8-diol?
The InChIKey is WUDFEXSJURUGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13/h1-8,15-16H.
What are the key properties of anthracene-1,8-diol?
anthracene-1,8-diol has a molecular weight of 210.23 g/mol, XLogP of 3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,8-diol is sourced from PubChem (CID 19786014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).