(1-phenylmethoxynaphthalen-2-yl)boronic acid

C17H15BO3 — CID 10755032

IUPAC(1-phenylmethoxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C17H15BO3/c19-18(20)16-11-10-14-8-4-5-9-15(14)17(16)21-12-13-6-2-1-3-7-13/h1-11,19-20H,12H2
InChIKeyKDUUUXOIQQAPKS-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.10
Rot. Bonds4

About (1-phenylmethoxynaphthalen-2-yl)boronic acid

(1-phenylmethoxynaphthalen-2-yl)boronic acid (PubChem CID 10755032) has the molecular formula C17H15BO3 and a molecular weight of 278.12 g/mol. Its IUPAC name is (1-phenylmethoxynaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(1-phenylmethoxynaphthalen-2-yl)boronic acid
PubChem CID10755032
Molecular FormulaC17H15BO3
Molecular Weight278.12 g/mol
Exact Mass278.11
IUPAC Name(1-phenylmethoxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C17H15BO3/c19-18(20)16-11-10-14-8-4-5-9-15(14)17(16)21-12-13-6-2-1-3-7-13/h1-11,19-20H,12H2
InChIKeyKDUUUXOIQQAPKS-UHFFFAOYSA-N
XLogP2.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-borono-6-methoxy-2-phenylmethoxyphenyl)-4-methoxy-2-phenylmethoxyphenyl]boronic acid
CID 132839010
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 54035812
CID 6334341
CID 6334341
2-borononaphthalene-1-carboxylic acid
CID 67024077
(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
CID 164896021
(3-ethoxy-5-formyl-2-phenylmethoxyphenyl)boronic acid
CID 167726759
naphthalen-1-ylboronic acid;phenylboronic acid
CID 68865440
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
CID 11088545
2-phenylmethoxybenzene-1,3-diol
CID 15652625
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116

Frequently Asked Questions

What is the IUPAC name of (1-phenylmethoxynaphthalen-2-yl)boronic acid?
The IUPAC name of (1-phenylmethoxynaphthalen-2-yl)boronic acid (CID 10755032) is (1-phenylmethoxynaphthalen-2-yl)boronic acid.
What is the SMILES notation for (1-phenylmethoxynaphthalen-2-yl)boronic acid?
The canonical SMILES for (1-phenylmethoxynaphthalen-2-yl)boronic acid is OB(O)c1ccc2ccccc2c1OCc1ccccc1.
What is the InChIKey of (1-phenylmethoxynaphthalen-2-yl)boronic acid?
The InChIKey is KDUUUXOIQQAPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BO3/c19-18(20)16-11-10-14-8-4-5-9-15(14)17(16)21-12-13-6-2-1-3-7-13/h1-11,19-20H,12H2.
What are the key properties of (1-phenylmethoxynaphthalen-2-yl)boronic acid?
(1-phenylmethoxynaphthalen-2-yl)boronic acid has a molecular weight of 278.12 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylmethoxynaphthalen-2-yl)boronic acid is sourced from PubChem (CID 10755032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).