anthracene-1,5,9,10-tetrol

C14H10O4 — CID 71371518

IUPACanthracene-1,5,9,10-tetrol
SMILESOc1cccc2c(O)c3c(O)cccc3c(O)c12
InChIInChI=1S/C14H10O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-18H
InChIKeyKVGNRFUTVLFWFS-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.82
Rot. Bonds

About anthracene-1,5,9,10-tetrol

anthracene-1,5,9,10-tetrol (PubChem CID 71371518) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is anthracene-1,5,9,10-tetrol.

Molecular Properties

Compound Nameanthracene-1,5,9,10-tetrol
PubChem CID71371518
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Nameanthracene-1,5,9,10-tetrol
SMILESOc1cccc2c(O)c3c(O)cccc3c(O)c12
InChIInChI=1S/C14H10O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-18H
InChIKeyKVGNRFUTVLFWFS-UHFFFAOYSA-N
XLogP2.82
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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
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
3-Phenanthrol
CID 95724
9-Hydroxybenzo(a)pyrene
CID 28598

Frequently Asked Questions

What is the IUPAC name of anthracene-1,5,9,10-tetrol?
The IUPAC name of anthracene-1,5,9,10-tetrol (CID 71371518) is anthracene-1,5,9,10-tetrol.
What is the SMILES notation for anthracene-1,5,9,10-tetrol?
The canonical SMILES for anthracene-1,5,9,10-tetrol is Oc1cccc2c(O)c3c(O)cccc3c(O)c12.
What is the InChIKey of anthracene-1,5,9,10-tetrol?
The InChIKey is KVGNRFUTVLFWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-18H.
What are the key properties of anthracene-1,5,9,10-tetrol?
anthracene-1,5,9,10-tetrol has a molecular weight of 242.23 g/mol, XLogP of 2.82, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,5,9,10-tetrol is sourced from PubChem (CID 71371518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).