9,9-dimethylxanthene-1,2-diol

C15H14O3 — CID 150510320

IUPAC9,9-dimethylxanthene-1,2-diol
SMILESCC1(C)c2ccccc2Oc2ccc(O)c(O)c21
InChIInChI=1S/C15H14O3/c1-15(2)9-5-3-4-6-11(9)18-12-8-7-10(16)14(17)13(12)15/h3-8,16-17H,1-2H3
InChIKeyHZRKOIPJESFFPA-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.53
Rot. Bonds

About 9,9-dimethylxanthene-1,2-diol

9,9-dimethylxanthene-1,2-diol (PubChem CID 150510320) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 9,9-dimethylxanthene-1,2-diol.

Molecular Properties

Compound Name9,9-dimethylxanthene-1,2-diol
PubChem CID150510320
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name9,9-dimethylxanthene-1,2-diol
SMILESCC1(C)c2ccccc2Oc2ccc(O)c(O)c21
InChIInChI=1S/C15H14O3/c1-15(2)9-5-3-4-6-11(9)18-12-8-7-10(16)14(17)13(12)15/h3-8,16-17H,1-2H3
InChIKeyHZRKOIPJESFFPA-UHFFFAOYSA-N
XLogP3.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
9,9-dimethylxanthene;phenylphosphane
CID 155388268
1,2-didecyl-9,9-dimethylxanthene
CID 70130901
1,2-dihexyl-9,9-dimethylxanthene
CID 70129597
9,9-dimethylxanthene;triphenylphosphane
CID 175584517
N,N,9-trimethylxanthen-9-amine
CID 68833214
(9-methylxanthen-9-yl)methanol
CID 57435258
2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163752152
dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane
CID 150567523
1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone
CID 171503176
1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 15122151

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylxanthene-1,2-diol?
The IUPAC name of 9,9-dimethylxanthene-1,2-diol (CID 150510320) is 9,9-dimethylxanthene-1,2-diol.
What is the SMILES notation for 9,9-dimethylxanthene-1,2-diol?
The canonical SMILES for 9,9-dimethylxanthene-1,2-diol is CC1(C)c2ccccc2Oc2ccc(O)c(O)c21.
What is the InChIKey of 9,9-dimethylxanthene-1,2-diol?
The InChIKey is HZRKOIPJESFFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-15(2)9-5-3-4-6-11(9)18-12-8-7-10(16)14(17)13(12)15/h3-8,16-17H,1-2H3.
What are the key properties of 9,9-dimethylxanthene-1,2-diol?
9,9-dimethylxanthene-1,2-diol has a molecular weight of 242.27 g/mol, XLogP of 3.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylxanthene-1,2-diol is sourced from PubChem (CID 150510320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).