bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid

C20H15BO5 — CID 174984804

IUPACbis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid
SMILESOB(Oc1cc2ccccc2cc1O)Oc1cc2ccccc2cc1O
InChIInChI=1S/C20H15BO5/c22-17-9-13-5-1-3-7-15(13)11-19(17)25-21(24)26-20-12-16-8-4-2-6-14(16)10-18(20)23/h1-12,22-24H
InChIKeyPWKOUMZMDOZBPD-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.84
Rot. Bonds4

About bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid

bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid (PubChem CID 174984804) has the molecular formula C20H15BO5 and a molecular weight of 346.15 g/mol. Its IUPAC name is bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid.

Molecular Properties

Compound Namebis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid
PubChem CID174984804
Molecular FormulaC20H15BO5
Molecular Weight346.15 g/mol
Exact Mass346.10
IUPAC Namebis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid
SMILESOB(Oc1cc2ccccc2cc1O)Oc1cc2ccccc2cc1O
InChIInChI=1S/C20H15BO5/c22-17-9-13-5-1-3-7-15(13)11-19(17)25-21(24)26-20-12-16-8-4-2-6-14(16)10-18(20)23/h1-12,22-24H
InChIKeyPWKOUMZMDOZBPD-UHFFFAOYSA-N
XLogP3.84
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxynaphthalen-2-yl)oxyboronic acid
CID 142698504
bis(2-hydroxyphenoxy)borinic acid
CID 19048509
3-methylperoxynaphthalen-2-ol
CID 88579478
sodium naphthalene-2,3-diol
CID 23069442
naphthalene-2,3-diol;titanium
CID 87616563
3-(6-hydroxyhexoxy)naphthalen-2-ol
CID 107704307
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-hydroxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-ol
CID 101421766
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
CID 43143618
benzo[a]anthracen-1-yloxy(phenoxy)borinic acid
CID 23019718
(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 11173848
bis(4-hydroxy-2-phenylphenoxy)borinic acid
CID 139941663

Frequently Asked Questions

What is the IUPAC name of bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid?
The IUPAC name of bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid (CID 174984804) is bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid.
What is the SMILES notation for bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid?
The canonical SMILES for bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid is OB(Oc1cc2ccccc2cc1O)Oc1cc2ccccc2cc1O.
What is the InChIKey of bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid?
The InChIKey is PWKOUMZMDOZBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BO5/c22-17-9-13-5-1-3-7-15(13)11-19(17)25-21(24)26-20-12-16-8-4-2-6-14(16)10-18(20)23/h1-12,22-24H.
What are the key properties of bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid?
bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid has a molecular weight of 346.15 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid is sourced from PubChem (CID 174984804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).