anthracene-1,8,9-triol

C14H10O3 — CID 10187

IUPACanthracene-1,8,9-triol
SMILESOc1cccc2cc3cccc(O)c3c(O)c12
InChIInChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H
InChIKeyYUTJCNNFTOIOGT-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.11
Rot. Bonds

About anthracene-1,8,9-triol

anthracene-1,8,9-triol (PubChem CID 10187) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is anthracene-1,8,9-triol.

Molecular Properties

Compound Nameanthracene-1,8,9-triol
PubChem CID10187
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Nameanthracene-1,8,9-triol
SMILESOc1cccc2cc3cccc(O)c3c(O)c12
InChIInChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H
InChIKeyYUTJCNNFTOIOGT-UHFFFAOYSA-N
XLogP3.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
Tapinarof
CID 6439522
1,5-Dihydroxynaphthalene
CID 6749
1,3-Dihydroxynaphthalene
CID 8601
Menadiol
CID 10209
2,7-Naphthalenediol
CID 11397
3-Methylanthralin
CID 10288
1,1'-Methylenebis(2-naphthalenol)
CID 14187
1,6-Dihydroxynaphthalene
CID 68463

Frequently Asked Questions

What is the IUPAC name of anthracene-1,8,9-triol?
The IUPAC name of anthracene-1,8,9-triol (CID 10187) is anthracene-1,8,9-triol.
What is the SMILES notation for anthracene-1,8,9-triol?
The canonical SMILES for anthracene-1,8,9-triol is Oc1cccc2cc3cccc(O)c3c(O)c12.
What is the InChIKey of anthracene-1,8,9-triol?
The InChIKey is YUTJCNNFTOIOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H.
What are the key properties of anthracene-1,8,9-triol?
anthracene-1,8,9-triol has a molecular weight of 226.23 g/mol, XLogP of 3.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,8,9-triol is sourced from PubChem (CID 10187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).