anthracene-9,10-diol

C14H10O2 — CID 21082

IUPACanthracene-9,10-diol
SMILESOc1c2ccccc2c(O)c2ccccc12
InChIInChI=1S/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H
InChIKeyPCFMUWBCZZUMRX-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.40
Rot. Bonds

About anthracene-9,10-diol

anthracene-9,10-diol (PubChem CID 21082) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is anthracene-9,10-diol.

Molecular Properties

Compound Nameanthracene-9,10-diol
PubChem CID21082
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Nameanthracene-9,10-diol
SMILESOc1c2ccccc2c(O)c2ccccc12
InChIInChI=1S/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H
InChIKeyPCFMUWBCZZUMRX-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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-Naphthol
CID 7005
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
1,4-Naphthalenediol
CID 11305
2,3,6-Trimethylphenol
CID 17016
Phenylhydroquinone
CID 14116
Trimethylhydroquinone
CID 12785
1,5-Dihydroxynaphthalene
CID 6749
Menadiol
CID 10209
3-Methylanthralin
CID 10288
1,8,9-Anthracenetriol
CID 10187
1,1'-Methylenebis(2-naphthalenol)
CID 14187

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-diol?
The IUPAC name of anthracene-9,10-diol (CID 21082) is anthracene-9,10-diol.
What is the SMILES notation for anthracene-9,10-diol?
The canonical SMILES for anthracene-9,10-diol is Oc1c2ccccc2c(O)c2ccccc12.
What is the InChIKey of anthracene-9,10-diol?
The InChIKey is PCFMUWBCZZUMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H.
What are the key properties of anthracene-9,10-diol?
anthracene-9,10-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-9,10-diol is sourced from PubChem (CID 21082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).