anthracene-1,4,5,9,10-pentol

C14H10O5 — CID 14166820

IUPACanthracene-1,4,5,9,10-pentol
SMILESOc1cccc2c(O)c3c(O)ccc(O)c3c(O)c12
InChIInChI=1S/C14H10O5/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,15-19H
InChIKeyOLWUYJNNRBLLSV-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.52
Rot. Bonds

About anthracene-1,4,5,9,10-pentol

anthracene-1,4,5,9,10-pentol (PubChem CID 14166820) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is anthracene-1,4,5,9,10-pentol.

Molecular Properties

Compound Nameanthracene-1,4,5,9,10-pentol
PubChem CID14166820
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Nameanthracene-1,4,5,9,10-pentol
SMILESOc1cccc2c(O)c3c(O)ccc(O)c3c(O)c12
InChIInChI=1S/C14H10O5/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,15-19H
InChIKeyOLWUYJNNRBLLSV-UHFFFAOYSA-N
XLogP2.52
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

anthracene-1,5,9,10-tetrol
CID 71371518
pyrene-4,5,9,10-tetrol
CID 144772301
tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol
CID 123144180
10-(methyldiazenyl)anthracene-1,4,9-triol
CID 4180559
8-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)anthracene-1,9,10-triol
CID 90868964
5-ethenylnaphthalene-1,4-diol;bis(yttrium)
CID 59524586
3-amino-1,4,5-trihydroxynaphthalene-2-sulfonic acid
CID 175412507
3-chloronaphtho[2,3-c]dioxete-4,8-diol
CID 141499928
benzene-1,2,3-triol
CID 87074018
10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol
CID 135476168
tetracyclo[6.6.2.02,7.09,14]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-15,16-diol
CID 123414874
5,8-dihydroxynaphthalene-1-carboxylic acid
CID 68625233

Frequently Asked Questions

What is the IUPAC name of anthracene-1,4,5,9,10-pentol?
The IUPAC name of anthracene-1,4,5,9,10-pentol (CID 14166820) is anthracene-1,4,5,9,10-pentol.
What is the SMILES notation for anthracene-1,4,5,9,10-pentol?
The canonical SMILES for anthracene-1,4,5,9,10-pentol is Oc1cccc2c(O)c3c(O)ccc(O)c3c(O)c12.
What is the InChIKey of anthracene-1,4,5,9,10-pentol?
The InChIKey is OLWUYJNNRBLLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,15-19H.
What are the key properties of anthracene-1,4,5,9,10-pentol?
anthracene-1,4,5,9,10-pentol has a molecular weight of 258.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,4,5,9,10-pentol is sourced from PubChem (CID 14166820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).