butoxy(9H-carbazol-1-yloxy)borinic acid

C16H18BNO3 — CID 174896915

IUPACbutoxy(9H-carbazol-1-yloxy)borinic acid
SMILESCCCCOB(O)Oc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H18BNO3/c1-2-3-11-20-17(19)21-15-10-6-8-13-12-7-4-5-9-14(12)18-16(13)15/h4-10,18-19H,2-3,11H2,1H3
InChIKeyTXZBNIWEAUDPIY-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.49
Rot. Bonds6

About butoxy(9H-carbazol-1-yloxy)borinic acid

butoxy(9H-carbazol-1-yloxy)borinic acid (PubChem CID 174896915) has the molecular formula C16H18BNO3 and a molecular weight of 283.14 g/mol. Its IUPAC name is butoxy(9H-carbazol-1-yloxy)borinic acid.

Molecular Properties

Compound Namebutoxy(9H-carbazol-1-yloxy)borinic acid
PubChem CID174896915
Molecular FormulaC16H18BNO3
Molecular Weight283.14 g/mol
Exact Mass283.14
IUPAC Namebutoxy(9H-carbazol-1-yloxy)borinic acid
SMILESCCCCOB(O)Oc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H18BNO3/c1-2-3-11-20-17(19)21-15-10-6-8-13-12-7-4-5-9-14(12)18-16(13)15/h4-10,18-19H,2-3,11H2,1H3
InChIKeyTXZBNIWEAUDPIY-UHFFFAOYSA-N
XLogP3.49
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butoxy(9H-carbazol-1-yloxy)borinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(9H-carbazol-1-yloxy)borinic acid
CID 175014324
1-(2-octoxyphenyl)-9H-carbazole
CID 174629986
1-nonyl-9H-carbazole
CID 66872642
1-(4-methylphenoxy)-9H-carbazole
CID 141175510
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
9H-carbazol-1-ylboronic acid
CID 53421584
9H-carbazol-1-yl 2-methylpent-2-enoate
CID 174695043
1-(4-hexoxyphenyl)-9H-carbazole
CID 141338057
1-(2-ethoxyphenyl)-9H-carbazole
CID 175136892
1-[butoxy(diphenyl)methyl]-9H-carbazole
CID 154189917
9H-carbazol-1-ylmethanol
CID 10987211
1-methoxy-9H-carbazole;oxirane
CID 175234481

Frequently Asked Questions

What is the IUPAC name of butoxy(9H-carbazol-1-yloxy)borinic acid?
The IUPAC name of butoxy(9H-carbazol-1-yloxy)borinic acid (CID 174896915) is butoxy(9H-carbazol-1-yloxy)borinic acid.
What is the SMILES notation for butoxy(9H-carbazol-1-yloxy)borinic acid?
The canonical SMILES for butoxy(9H-carbazol-1-yloxy)borinic acid is CCCCOB(O)Oc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of butoxy(9H-carbazol-1-yloxy)borinic acid?
The InChIKey is TXZBNIWEAUDPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BNO3/c1-2-3-11-20-17(19)21-15-10-6-8-13-12-7-4-5-9-14(12)18-16(13)15/h4-10,18-19H,2-3,11H2,1H3.
What are the key properties of butoxy(9H-carbazol-1-yloxy)borinic acid?
butoxy(9H-carbazol-1-yloxy)borinic acid has a molecular weight of 283.14 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(9H-carbazol-1-yloxy)borinic acid is sourced from PubChem (CID 174896915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).