[6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid

C15H17BO4 — CID 133059658

IUPAC[6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid
SMILESCC(C)(C)OC(=O)c1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C15H17BO4/c1-15(2,3)20-14(17)12-5-4-11-9-13(16(18)19)7-6-10(11)8-12/h4-9,18-19H,1-3H3
InChIKeyPZINIZDHPKKCLI-UHFFFAOYSA-N
MW272.11 g/mol
LogP1.47
Rot. Bonds2

About [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid

[6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid (PubChem CID 133059658) has the molecular formula C15H17BO4 and a molecular weight of 272.11 g/mol. Its IUPAC name is [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid
PubChem CID133059658
Molecular FormulaC15H17BO4
Molecular Weight272.11 g/mol
Exact Mass272.12
IUPAC Name[6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid
SMILESCC(C)(C)OC(=O)c1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C15H17BO4/c1-15(2,3)20-14(17)12-5-4-11-9-13(16(18)19)7-6-10(11)8-12/h4-9,18-19H,1-3H3
InChIKeyPZINIZDHPKKCLI-UHFFFAOYSA-N
XLogP1.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 51.47
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

6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalene-2-carboxylic acid
CID 23021695
magnesium;tert-butyl benzoate;ethane;[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid;bromide
CID 159121893
tert-butyl 6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1,3,5(9),7,10,12,14,16,18,20-decaene-17-carboxylate
CID 141443468
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl benzo[g]quinoline-7-carboxylate
CID 141276812
tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate
CID 67091597
ditert-butyl 2-methylbenzene-1,4-dicarboxylate
CID 175662987
5-[(2-methylpropan-2-yl)oxycarbonyl]-1-benzofuran-2-carboxylic acid
CID 13364056
tert-butyl 3-tert-butyl-4-hydroxybenzoate
CID 86036715
tert-butyl 3-bromo-4-formylbenzoate
CID 86076284
[3,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
CID 68785692
tert-butyl azulene-5-carboxylate
CID 67371592

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid?
The IUPAC name of [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid (CID 133059658) is [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid.
What is the SMILES notation for [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid?
The canonical SMILES for [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid is CC(C)(C)OC(=O)c1ccc2cc(B(O)O)ccc2c1.
What is the InChIKey of [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid?
The InChIKey is PZINIZDHPKKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BO4/c1-15(2,3)20-14(17)12-5-4-11-9-13(16(18)19)7-6-10(11)8-12/h4-9,18-19H,1-3H3.
What are the key properties of [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid?
[6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid has a molecular weight of 272.11 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid is sourced from PubChem (CID 133059658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).