(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid

C16H13BO3 — CID 175463508

IUPAC(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid
SMILESOB(O)c1c(O)cccc1-c1cccc2ccccc12
InChIInChI=1S/C16H13BO3/c18-15-10-4-9-14(16(15)17(19)20)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,18-20H
InChIKeyDVPQCHYNNCYMBN-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.89
Rot. Bonds2

About (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid

(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid (PubChem CID 175463508) has the molecular formula C16H13BO3 and a molecular weight of 264.09 g/mol. Its IUPAC name is (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid.

Molecular Properties

Compound Name(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid
PubChem CID175463508
Molecular FormulaC16H13BO3
Molecular Weight264.09 g/mol
Exact Mass264.10
IUPAC Name(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid
SMILESOB(O)c1c(O)cccc1-c1cccc2ccccc12
InChIInChI=1S/C16H13BO3/c18-15-10-4-9-14(16(15)17(19)20)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,18-20H
InChIKeyDVPQCHYNNCYMBN-UHFFFAOYSA-N
XLogP1.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-naphthalen-1-ylanthracen-1-yl)boronic acid
CID 142695143
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
(2-naphthalen-1-ylphenyl)boronic acid
CID 66736681
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid
CID 177108224

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid?
The IUPAC name of (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid (CID 175463508) is (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid.
What is the SMILES notation for (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid?
The canonical SMILES for (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid is OB(O)c1c(O)cccc1-c1cccc2ccccc12.
What is the InChIKey of (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid?
The InChIKey is DVPQCHYNNCYMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BO3/c18-15-10-4-9-14(16(15)17(19)20)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,18-20H.
What are the key properties of (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid?
(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid has a molecular weight of 264.09 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid is sourced from PubChem (CID 175463508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).