7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol

C16H19BO3 — CID 130141692

IUPAC7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol
SMILESCC1(C)OB(c2ccc3ccc(O)cc3c2)OC1(C)C
InChIInChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-7-5-11-6-8-14(18)10-12(11)9-13/h5-10,18H,1-4H3
InChIKeyBNVPIKXFHBYFKI-UHFFFAOYSA-N
MW270.14 g/mol
LogP2.84
Rot. Bonds1

About 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol (PubChem CID 130141692) has the molecular formula C16H19BO3 and a molecular weight of 270.14 g/mol. Its IUPAC name is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol
PubChem CID130141692
Molecular FormulaC16H19BO3
Molecular Weight270.14 g/mol
Exact Mass270.14
IUPAC Name7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol
SMILESCC1(C)OB(c2ccc3ccc(O)cc3c2)OC1(C)C
InChIInChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-7-5-11-6-8-14(18)10-12(11)9-13/h5-10,18H,1-4H3
InChIKeyBNVPIKXFHBYFKI-UHFFFAOYSA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol?
The IUPAC name of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol (CID 130141692) is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol.
What is the SMILES notation for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol?
The canonical SMILES for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol is CC1(C)OB(c2ccc3ccc(O)cc3c2)OC1(C)C.
What is the InChIKey of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol?
The InChIKey is BNVPIKXFHBYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-7-5-11-6-8-14(18)10-12(11)9-13/h5-10,18H,1-4H3.
What are the key properties of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol?
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol has a molecular weight of 270.14 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol is sourced from PubChem (CID 130141692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).