1,5-dimethylideneanthracene-9,10-diol

C16H12O2 — CID 91185500

IUPAC1,5-dimethylideneanthracene-9,10-diol
SMILESC=c1cccc2c(O)c3c(=C)cccc3c(O)c12
InChIInChI=1S/C16H12O2/c1-9-5-3-7-11-13(9)15(17)12-8-4-6-10(2)14(12)16(11)18/h3-8,17-18H,1-2H2
InChIKeyHPUPPLOKUSBQNE-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.22
Rot. Bonds

About 1,5-dimethylideneanthracene-9,10-diol

1,5-dimethylideneanthracene-9,10-diol (PubChem CID 91185500) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1,5-dimethylideneanthracene-9,10-diol.

Molecular Properties

Compound Name1,5-dimethylideneanthracene-9,10-diol
PubChem CID91185500
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name1,5-dimethylideneanthracene-9,10-diol
SMILESC=c1cccc2c(O)c3c(=C)cccc3c(O)c12
InChIInChI=1S/C16H12O2/c1-9-5-3-7-11-13(9)15(17)12-8-4-6-10(2)14(12)16(11)18/h3-8,17-18H,1-2H2
InChIKeyHPUPPLOKUSBQNE-UHFFFAOYSA-N
XLogP2.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1,5-dimethylideneanthracene-9,10-diol?
The IUPAC name of 1,5-dimethylideneanthracene-9,10-diol (CID 91185500) is 1,5-dimethylideneanthracene-9,10-diol.
What is the SMILES notation for 1,5-dimethylideneanthracene-9,10-diol?
The canonical SMILES for 1,5-dimethylideneanthracene-9,10-diol is C=c1cccc2c(O)c3c(=C)cccc3c(O)c12.
What is the InChIKey of 1,5-dimethylideneanthracene-9,10-diol?
The InChIKey is HPUPPLOKUSBQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-9-5-3-7-11-13(9)15(17)12-8-4-6-10(2)14(12)16(11)18/h3-8,17-18H,1-2H2.
What are the key properties of 1,5-dimethylideneanthracene-9,10-diol?
1,5-dimethylideneanthracene-9,10-diol has a molecular weight of 236.27 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylideneanthracene-9,10-diol is sourced from PubChem (CID 91185500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).