2,3-dihydroanthracene-1,4-diol

C14H12O2 — CID 141072383

IUPAC2,3-dihydroanthracene-1,4-diol
SMILESOC1=c2cc3ccccc3cc2=C(O)CC1
InChIInChI=1S/C14H12O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-4,7-8,15-16H,5-6H2
InChIKeySOSLUKQJJBVOKZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.97
Rot. Bonds

About 2,3-dihydroanthracene-1,4-diol

2,3-dihydroanthracene-1,4-diol (PubChem CID 141072383) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,3-dihydroanthracene-1,4-diol.

Molecular Properties

Compound Name2,3-dihydroanthracene-1,4-diol
PubChem CID141072383
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2,3-dihydroanthracene-1,4-diol
SMILESOC1=c2cc3ccccc3cc2=C(O)CC1
InChIInChI=1S/C14H12O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-4,7-8,15-16H,5-6H2
InChIKeySOSLUKQJJBVOKZ-UHFFFAOYSA-N
XLogP1.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158474185
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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroanthracene-1,4-diol?
The IUPAC name of 2,3-dihydroanthracene-1,4-diol (CID 141072383) is 2,3-dihydroanthracene-1,4-diol.
What is the SMILES notation for 2,3-dihydroanthracene-1,4-diol?
The canonical SMILES for 2,3-dihydroanthracene-1,4-diol is OC1=c2cc3ccccc3cc2=C(O)CC1.
What is the InChIKey of 2,3-dihydroanthracene-1,4-diol?
The InChIKey is SOSLUKQJJBVOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-4,7-8,15-16H,5-6H2.
What are the key properties of 2,3-dihydroanthracene-1,4-diol?
2,3-dihydroanthracene-1,4-diol has a molecular weight of 212.25 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroanthracene-1,4-diol is sourced from PubChem (CID 141072383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).