(5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid

C14H15BO4 — CID 133054597

IUPAC(5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid
SMILESCC(C)OC(=O)c1cccc2cc(B(O)O)ccc12
InChIInChI=1S/C14H15BO4/c1-9(2)19-14(16)13-5-3-4-10-8-11(15(17)18)6-7-12(10)13/h3-9,17-18H,1-2H3
InChIKeyQRRRFBQUTRGTBM-UHFFFAOYSA-N
MW258.08 g/mol
LogP1.08
Rot. Bonds3

About (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid

(5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid (PubChem CID 133054597) has the molecular formula C14H15BO4 and a molecular weight of 258.08 g/mol. Its IUPAC name is (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid
PubChem CID133054597
Molecular FormulaC14H15BO4
Molecular Weight258.08 g/mol
Exact Mass258.11
IUPAC Name(5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid
SMILESCC(C)OC(=O)c1cccc2cc(B(O)O)ccc12
InChIInChI=1S/C14H15BO4/c1-9(2)19-14(16)13-5-3-4-10-8-11(15(17)18)6-7-12(10)13/h3-9,17-18H,1-2H3
InChIKeyQRRRFBQUTRGTBM-UHFFFAOYSA-N
XLogP1.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 51.08
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

(4-fluoro-3-propan-2-yloxycarbonylphenyl)boronic acid
CID 162421105
dipropan-2-yl perylene-3,9-dicarboxylate
CID 86028819
[5-(cyclopropylcarbamoyl)naphthalen-2-yl]boronic acid
CID 141489042
1-hydroxyethyl naphthalene-1-carboxylate
CID 70181591
propan-2-yl anthracene-9-carboxylate
CID 12646743
methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
CID 22895779
(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate
CID 925814
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
but-3-yn-2-yl naphthalene-1-carboxylate
CID 20569047
(5-cyanonaphthalen-2-yl)boronic acid
CID 133057282
methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate
CID 163232995
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid?
The IUPAC name of (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid (CID 133054597) is (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid.
What is the SMILES notation for (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid?
The canonical SMILES for (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid is CC(C)OC(=O)c1cccc2cc(B(O)O)ccc12.
What is the InChIKey of (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid?
The InChIKey is QRRRFBQUTRGTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO4/c1-9(2)19-14(16)13-5-3-4-10-8-11(15(17)18)6-7-12(10)13/h3-9,17-18H,1-2H3.
What are the key properties of (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid?
(5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid has a molecular weight of 258.08 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yloxycarbonylnaphthalen-2-yl)boronic acid is sourced from PubChem (CID 133054597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).