3-methylanthracene-1,2,4,8-tetrol

C15H12O4 — CID 91004047

IUPAC3-methylanthracene-1,2,4,8-tetrol
SMILESCc1c(O)c(O)c2cc3c(O)cccc3cc2c1O
InChIInChI=1S/C15H12O4/c1-7-13(17)10-5-8-3-2-4-12(16)9(8)6-11(10)15(19)14(7)18/h2-6,16-19H,1H3
InChIKeyNOGVRVIQHWEDMG-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.12
Rot. Bonds

About 3-methylanthracene-1,2,4,8-tetrol

3-methylanthracene-1,2,4,8-tetrol (PubChem CID 91004047) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-methylanthracene-1,2,4,8-tetrol.

Molecular Properties

Compound Name3-methylanthracene-1,2,4,8-tetrol
PubChem CID91004047
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name3-methylanthracene-1,2,4,8-tetrol
SMILESCc1c(O)c(O)c2cc3c(O)cccc3cc2c1O
InChIInChI=1S/C15H12O4/c1-7-13(17)10-5-8-3-2-4-12(16)9(8)6-11(10)15(19)14(7)18/h2-6,16-19H,1H3
InChIKeyNOGVRVIQHWEDMG-UHFFFAOYSA-N
XLogP3.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylanthracene-1,2,4,8-tetrol?
The IUPAC name of 3-methylanthracene-1,2,4,8-tetrol (CID 91004047) is 3-methylanthracene-1,2,4,8-tetrol.
What is the SMILES notation for 3-methylanthracene-1,2,4,8-tetrol?
The canonical SMILES for 3-methylanthracene-1,2,4,8-tetrol is Cc1c(O)c(O)c2cc3c(O)cccc3cc2c1O.
What is the InChIKey of 3-methylanthracene-1,2,4,8-tetrol?
The InChIKey is NOGVRVIQHWEDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-7-13(17)10-5-8-3-2-4-12(16)9(8)6-11(10)15(19)14(7)18/h2-6,16-19H,1H3.
What are the key properties of 3-methylanthracene-1,2,4,8-tetrol?
3-methylanthracene-1,2,4,8-tetrol has a molecular weight of 256.26 g/mol, XLogP of 3.12, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylanthracene-1,2,4,8-tetrol is sourced from PubChem (CID 91004047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).