(5-chloro-2-methoxynaphthalen-1-yl)boronic acid

C11H10BClO3 — CID 168880110

IUPAC(5-chloro-2-methoxynaphthalen-1-yl)boronic acid
SMILESCOc1ccc2c(Cl)cccc2c1B(O)O
InChIInChI=1S/C11H10BClO3/c1-16-10-6-5-7-8(11(10)12(14)15)3-2-4-9(7)13/h2-6,14-15H,1H3
InChIKeyKCCSHNSIXBJCPC-UHFFFAOYSA-N
MW236.46 g/mol
LogP1.18
Rot. Bonds2

About (5-chloro-2-methoxynaphthalen-1-yl)boronic acid

(5-chloro-2-methoxynaphthalen-1-yl)boronic acid (PubChem CID 168880110) has the molecular formula C11H10BClO3 and a molecular weight of 236.46 g/mol. Its IUPAC name is (5-chloro-2-methoxynaphthalen-1-yl)boronic acid.

Molecular Properties

Compound Name(5-chloro-2-methoxynaphthalen-1-yl)boronic acid
PubChem CID168880110
Molecular FormulaC11H10BClO3
Molecular Weight236.46 g/mol
Exact Mass236.04
IUPAC Name(5-chloro-2-methoxynaphthalen-1-yl)boronic acid
SMILESCOc1ccc2c(Cl)cccc2c1B(O)O
InChIInChI=1S/C11H10BClO3/c1-16-10-6-5-7-8(11(10)12(14)15)3-2-4-9(7)13/h2-6,14-15H,1H3
InChIKeyKCCSHNSIXBJCPC-UHFFFAOYSA-N
XLogP1.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.46
LogP ≤ 51.18
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

(2-chloro-6-methoxyphenoxy)boronic acid
CID 142775747
1-chloro-4-methoxynaphthalene
CID 606038
1-chloro-9-methoxyphenanthrene
CID 174558891
(2,6-dichloro-3-methoxyphenyl)boronic acid
CID 57497288
(4-chloro-1-methoxynaphthalen-2-yl)boronic acid
CID 166475767
(3-chloro-6-methoxyisoquinolin-5-yl)boronic acid
CID 168880108
(2,6-dichlorophenyl)boronic acid
CID 2734332
(2-fluoro-6-methoxyphenyl)boronic acid
CID 3294524
8-chloro-4-methoxyisoquinoline
CID 119083807
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
CID 57455647
CID 57455647

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxynaphthalen-1-yl)boronic acid?
The IUPAC name of (5-chloro-2-methoxynaphthalen-1-yl)boronic acid (CID 168880110) is (5-chloro-2-methoxynaphthalen-1-yl)boronic acid.
What is the SMILES notation for (5-chloro-2-methoxynaphthalen-1-yl)boronic acid?
The canonical SMILES for (5-chloro-2-methoxynaphthalen-1-yl)boronic acid is COc1ccc2c(Cl)cccc2c1B(O)O.
What is the InChIKey of (5-chloro-2-methoxynaphthalen-1-yl)boronic acid?
The InChIKey is KCCSHNSIXBJCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BClO3/c1-16-10-6-5-7-8(11(10)12(14)15)3-2-4-9(7)13/h2-6,14-15H,1H3.
What are the key properties of (5-chloro-2-methoxynaphthalen-1-yl)boronic acid?
(5-chloro-2-methoxynaphthalen-1-yl)boronic acid has a molecular weight of 236.46 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxynaphthalen-1-yl)boronic acid is sourced from PubChem (CID 168880110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).