9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one

C18H20O3 — CID 101386040

IUPAC9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one
SMILESCc1cc2c(O)c3c(c(O)c2cc1C)C(C)(C)CCC3=O
InChIInChI=1S/C18H20O3/c1-9-7-11-12(8-10(9)2)17(21)15-14(16(11)20)13(19)5-6-18(15,3)4/h7-8,20-21H,5-6H2,1-4H3
InChIKeyBBZGVRBHSVGYBL-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.12
Rot. Bonds

About 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one

9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one (PubChem CID 101386040) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one.

Molecular Properties

Compound Name9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one
PubChem CID101386040
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one
SMILESCc1cc2c(O)c3c(c(O)c2cc1C)C(C)(C)CCC3=O
InChIInChI=1S/C18H20O3/c1-9-7-11-12(8-10(9)2)17(21)15-14(16(11)20)13(19)5-6-18(15,3)4/h7-8,20-21H,5-6H2,1-4H3
InChIKeyBBZGVRBHSVGYBL-UHFFFAOYSA-N
XLogP4.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one?
The IUPAC name of 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one (CID 101386040) is 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one.
What is the SMILES notation for 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one?
The canonical SMILES for 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one is Cc1cc2c(O)c3c(c(O)c2cc1C)C(C)(C)CCC3=O.
What is the InChIKey of 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one?
The InChIKey is BBZGVRBHSVGYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-9-7-11-12(8-10(9)2)17(21)15-14(16(11)20)13(19)5-6-18(15,3)4/h7-8,20-21H,5-6H2,1-4H3.
What are the key properties of 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one?
9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one has a molecular weight of 284.36 g/mol, XLogP of 4.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one is sourced from PubChem (CID 101386040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).