anthracene-1,2,10-triol

C14H10O3 — CID 11342

IUPACanthracene-1,2,10-triol
SMILESOc1ccc2c(O)c3ccccc3cc2c1O
InChIInChI=1S/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H
InChIKeyTZIQWQARHPGHIG-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.11
Rot. Bonds

About anthracene-1,2,10-triol

anthracene-1,2,10-triol (PubChem CID 11342) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is anthracene-1,2,10-triol.

Molecular Properties

Compound Nameanthracene-1,2,10-triol
PubChem CID11342
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Nameanthracene-1,2,10-triol
SMILESOc1ccc2c(O)c3ccccc3cc2c1O
InChIInChI=1S/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H
InChIKeyTZIQWQARHPGHIG-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracene-1,2,10-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 89262500
CID 89262500
naphthalene-1,2-diol;naphthalene-1,6-diol
CID 160740349
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
3-bromoanthracen-9-ol
CID 23035853
2-aminonaphthalene-1,3-diol
CID 118669960
4,9-dihydroxyanthracene-2-sulfonic acid
CID 141399647
anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol
CID 161151752
acetic acid;benzo[a]anthracene-1,2-diol
CID 57354146
chrysene-3,4-diol
CID 23622151
3-aminoanthracene-2,9,10-triol
CID 90904436
tetrakis(carbon dioxide);naphthalene-1,2-diol;naphthalene-1,3-diol;naphthalene-1,4-diol;naphthalene-2,6-diol
CID 165025673
heptacen-1-ol
CID 150633624

Frequently Asked Questions

What is the IUPAC name of anthracene-1,2,10-triol?
The IUPAC name of anthracene-1,2,10-triol (CID 11342) is anthracene-1,2,10-triol.
What is the SMILES notation for anthracene-1,2,10-triol?
The canonical SMILES for anthracene-1,2,10-triol is Oc1ccc2c(O)c3ccccc3cc2c1O.
What is the InChIKey of anthracene-1,2,10-triol?
The InChIKey is TZIQWQARHPGHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H.
What are the key properties of anthracene-1,2,10-triol?
anthracene-1,2,10-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-1,2,10-triol is sourced from PubChem (CID 11342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).