5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol

C16H12O3 — CID 11514345

IUPAC5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccc3cc(O)ccc3c2)c1
InChIInChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
InChIKeyCKQUMNKKOYTAST-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.62
Rot. Bonds1

About 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol

5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol (PubChem CID 11514345) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
PubChem CID11514345
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccc3cc(O)ccc3c2)c1
InChIInChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
InChIKeyCKQUMNKKOYTAST-UHFFFAOYSA-N
XLogP3.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol (CID 11514345) is 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol is Oc1cc(O)cc(-c2ccc3cc(O)ccc3c2)c1.
What is the InChIKey of 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol?
The InChIKey is CKQUMNKKOYTAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H.
What are the key properties of 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol?
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol has a molecular weight of 252.27 g/mol, XLogP of 3.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol is sourced from PubChem (CID 11514345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).