(3-hydroxynaphthalen-2-yl)oxyboronic acid

C10H9BO4 — CID 142698504

IUPAC(3-hydroxynaphthalen-2-yl)oxyboronic acid
SMILESOB(O)Oc1cc2ccccc2cc1O
InChIInChI=1S/C10H9BO4/c12-9-5-7-3-1-2-4-8(7)6-10(9)15-11(13)14/h1-6,12-14H
InChIKeyIKUCGPGVTXCWBC-UHFFFAOYSA-N
MW203.99 g/mol
LogP0.89
Rot. Bonds2

About (3-hydroxynaphthalen-2-yl)oxyboronic acid

(3-hydroxynaphthalen-2-yl)oxyboronic acid (PubChem CID 142698504) has the molecular formula C10H9BO4 and a molecular weight of 203.99 g/mol. Its IUPAC name is (3-hydroxynaphthalen-2-yl)oxyboronic acid.

Molecular Properties

Compound Name(3-hydroxynaphthalen-2-yl)oxyboronic acid
PubChem CID142698504
Molecular FormulaC10H9BO4
Molecular Weight203.99 g/mol
Exact Mass204.06
IUPAC Name(3-hydroxynaphthalen-2-yl)oxyboronic acid
SMILESOB(O)Oc1cc2ccccc2cc1O
InChIInChI=1S/C10H9BO4/c12-9-5-7-3-1-2-4-8(7)6-10(9)15-11(13)14/h1-6,12-14H
InChIKeyIKUCGPGVTXCWBC-UHFFFAOYSA-N
XLogP0.89
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.99
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid
CID 174984804
3-methylperoxynaphthalen-2-ol
CID 88579478
naphthalene-2,3-diol;titanium
CID 87616563
sodium naphthalene-2,3-diol
CID 23069442
3-(6-hydroxyhexoxy)naphthalen-2-ol
CID 107704307
(2-naphthalen-2-ylphenoxy)boronic acid
CID 150538164
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
(3-methylnaphthalen-1-yl)oxyboronic acid
CID 150524774
(2-hydroxynaphthalen-1-yl)oxyboronic acid
CID 54264761
(4-chloro-2-hydroxy-5-methylphenoxy)boronic acid
CID 142793819

Frequently Asked Questions

What is the IUPAC name of (3-hydroxynaphthalen-2-yl)oxyboronic acid?
The IUPAC name of (3-hydroxynaphthalen-2-yl)oxyboronic acid (CID 142698504) is (3-hydroxynaphthalen-2-yl)oxyboronic acid.
What is the SMILES notation for (3-hydroxynaphthalen-2-yl)oxyboronic acid?
The canonical SMILES for (3-hydroxynaphthalen-2-yl)oxyboronic acid is OB(O)Oc1cc2ccccc2cc1O.
What is the InChIKey of (3-hydroxynaphthalen-2-yl)oxyboronic acid?
The InChIKey is IKUCGPGVTXCWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BO4/c12-9-5-7-3-1-2-4-8(7)6-10(9)15-11(13)14/h1-6,12-14H.
What are the key properties of (3-hydroxynaphthalen-2-yl)oxyboronic acid?
(3-hydroxynaphthalen-2-yl)oxyboronic acid has a molecular weight of 203.99 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxynaphthalen-2-yl)oxyboronic acid is sourced from PubChem (CID 142698504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).