(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid

C10H11BO3 — CID 59438354

IUPAC(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid
SMILESO=C1CCCc2ccc(B(O)O)cc21
InChIInChI=1S/C10H11BO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6,13-14H,1-3H2
InChIKeySXFJBJJYSFLTMC-UHFFFAOYSA-N
MW190.01 g/mol
LogP-0.11
Rot. Bonds1

About (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid

(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid (PubChem CID 59438354) has the molecular formula C10H11BO3 and a molecular weight of 190.01 g/mol. Its IUPAC name is (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid
PubChem CID59438354
Molecular FormulaC10H11BO3
Molecular Weight190.01 g/mol
Exact Mass190.08
IUPAC Name(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid
SMILESO=C1CCCc2ccc(B(O)O)cc21
InChIInChI=1S/C10H11BO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6,13-14H,1-3H2
InChIKeySXFJBJJYSFLTMC-UHFFFAOYSA-N
XLogP-0.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.01
LogP ≤ 5-0.11
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

7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
ethane;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 54451343
7-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54195655
7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one
CID 15224570
ethane;2-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetic acid
CID 143844110
7-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-one;ethane
CID 90773598
3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)prop-2-enoic acid
CID 169460890
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
CID 14985976
3,4-dihydro-2H-thiochromen-7-ylboronic acid
CID 171485502
2,3-dihydroxy-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)propanenitrile
CID 171870968
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803

Frequently Asked Questions

What is the IUPAC name of (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid?
The IUPAC name of (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid (CID 59438354) is (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid.
What is the SMILES notation for (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid?
The canonical SMILES for (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid is O=C1CCCc2ccc(B(O)O)cc21.
What is the InChIKey of (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid?
The InChIKey is SXFJBJJYSFLTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6,13-14H,1-3H2.
What are the key properties of (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid?
(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid has a molecular weight of 190.01 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-oxo-6,7-dihydro-5H-naphthalen-2-yl)boronic acid is sourced from PubChem (CID 59438354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).