9,10-dimethylanthracene-2,3,6,7-tetrol

C16H14O4 — CID 14292597

IUPAC9,10-dimethylanthracene-2,3,6,7-tetrol
SMILESCc1c2cc(O)c(O)cc2c(C)c2cc(O)c(O)cc12
InChIInChI=1S/C16H14O4/c1-7-9-3-13(17)15(19)5-11(9)8(2)12-6-16(20)14(18)4-10(7)12/h3-6,17-20H,1-2H3
InChIKeyLSRBZTZFDKGLOB-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.43
Rot. Bonds

About 9,10-dimethylanthracene-2,3,6,7-tetrol

9,10-dimethylanthracene-2,3,6,7-tetrol (PubChem CID 14292597) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 9,10-dimethylanthracene-2,3,6,7-tetrol.

Molecular Properties

Compound Name9,10-dimethylanthracene-2,3,6,7-tetrol
PubChem CID14292597
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name9,10-dimethylanthracene-2,3,6,7-tetrol
SMILESCc1c2cc(O)c(O)cc2c(C)c2cc(O)c(O)cc12
InChIInChI=1S/C16H14O4/c1-7-9-3-13(17)15(19)5-11(9)8(2)12-6-16(20)14(18)4-10(7)12/h3-6,17-20H,1-2H3
InChIKeyLSRBZTZFDKGLOB-UHFFFAOYSA-N
XLogP3.43
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.43
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylanthracene-2,3,6,7-tetrol?
The IUPAC name of 9,10-dimethylanthracene-2,3,6,7-tetrol (CID 14292597) is 9,10-dimethylanthracene-2,3,6,7-tetrol.
What is the SMILES notation for 9,10-dimethylanthracene-2,3,6,7-tetrol?
The canonical SMILES for 9,10-dimethylanthracene-2,3,6,7-tetrol is Cc1c2cc(O)c(O)cc2c(C)c2cc(O)c(O)cc12.
What is the InChIKey of 9,10-dimethylanthracene-2,3,6,7-tetrol?
The InChIKey is LSRBZTZFDKGLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-7-9-3-13(17)15(19)5-11(9)8(2)12-6-16(20)14(18)4-10(7)12/h3-6,17-20H,1-2H3.
What are the key properties of 9,10-dimethylanthracene-2,3,6,7-tetrol?
9,10-dimethylanthracene-2,3,6,7-tetrol has a molecular weight of 270.28 g/mol, XLogP of 3.43, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylanthracene-2,3,6,7-tetrol is sourced from PubChem (CID 14292597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).