(6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid

C11H10BClO4 — CID 175940290

IUPAC(6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid
SMILESCOc1cc2cc(Cl)ccc2cc1OB(O)O
InChIInChI=1S/C11H10BClO4/c1-16-10-6-8-4-9(13)3-2-7(8)5-11(10)17-12(14)15/h2-6,14-15H,1H3
InChIKeyNSCHXASIDWMKAL-UHFFFAOYSA-N
MW252.46 g/mol
LogP1.85
Rot. Bonds3

About (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid

(6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid (PubChem CID 175940290) has the molecular formula C11H10BClO4 and a molecular weight of 252.46 g/mol. Its IUPAC name is (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid.

Molecular Properties

Compound Name(6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid
PubChem CID175940290
Molecular FormulaC11H10BClO4
Molecular Weight252.46 g/mol
Exact Mass252.04
IUPAC Name(6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid
SMILESCOc1cc2cc(Cl)ccc2cc1OB(O)O
InChIInChI=1S/C11H10BClO4/c1-16-10-6-8-4-9(13)3-2-7(8)5-11(10)17-12(14)15/h2-6,14-15H,1H3
InChIKeyNSCHXASIDWMKAL-UHFFFAOYSA-N
XLogP1.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-chloro-2-methoxynaphthalene
CID 84713048
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
CID 117380053
(5-chloro-2-methoxycarbonylphenoxy)boronic acid
CID 142796908
1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 117443353
3-(7-chloro-3-methoxynaphthalen-2-yl)-3-methylbutanoic acid
CID 117472695
CID 175597573
CID 175597573
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
(6,7-dimethoxyquinolin-3-yl)oxyboronic acid
CID 156654423
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081
(6-chloro-2-methoxynaphthalen-1-yl) formate
CID 175599908

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid?
The IUPAC name of (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid (CID 175940290) is (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid.
What is the SMILES notation for (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid?
The canonical SMILES for (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid is COc1cc2cc(Cl)ccc2cc1OB(O)O.
What is the InChIKey of (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid?
The InChIKey is NSCHXASIDWMKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BClO4/c1-16-10-6-8-4-9(13)3-2-7(8)5-11(10)17-12(14)15/h2-6,14-15H,1H3.
What are the key properties of (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid?
(6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid has a molecular weight of 252.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid is sourced from PubChem (CID 175940290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).