(3-formyl-5-formyloxyphenyl)boronic acid

C8H7BO5 — CID 176640251

IUPAC(3-formyl-5-formyloxyphenyl)boronic acid
SMILESO=COc1cc(C=O)cc(B(O)O)c1
InChIInChI=1S/C8H7BO5/c10-4-6-1-7(9(12)13)3-8(2-6)14-5-11/h1-5,12-13H
InChIKeyPSADTPQZADGVSK-UHFFFAOYSA-N
MW193.95 g/mol
LogP-1.29
Rot. Bonds4

About (3-formyl-5-formyloxyphenyl)boronic acid

(3-formyl-5-formyloxyphenyl)boronic acid (PubChem CID 176640251) has the molecular formula C8H7BO5 and a molecular weight of 193.95 g/mol. Its IUPAC name is (3-formyl-5-formyloxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-formyl-5-formyloxyphenyl)boronic acid
PubChem CID176640251
Molecular FormulaC8H7BO5
Molecular Weight193.95 g/mol
Exact Mass194.04
IUPAC Name(3-formyl-5-formyloxyphenyl)boronic acid
SMILESO=COc1cc(C=O)cc(B(O)O)c1
InChIInChI=1S/C8H7BO5/c10-4-6-1-7(9(12)13)3-8(2-6)14-5-11/h1-5,12-13H
InChIKeyPSADTPQZADGVSK-UHFFFAOYSA-N
XLogP-1.29
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.95
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-formylphenyl) formate
CID 58195323
(4-formyl-3,5-dihydroxyphenyl)boronic acid
CID 171487300
(3-methyl-5-nitrophenyl)boronic acid;(4-nitrophenyl) formate
CID 143045578
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
3-benzyl-5-methylbenzaldehyde;(3-formyl-5-methylphenyl)boronic acid
CID 159498877
[3-formyl-5-(oxan-4-ylamino)phenyl]boronic acid
CID 131397072
N,N-dimethylmethanamine;(4-formylphenyl)boronic acid
CID 144500695
CID 71182037
CID 71182037
(4-amino-3,5-dichlorophenyl) formate
CID 174892330
[4-(3-formylphenyl)phenyl]boronic acid
CID 23005401
(3-formyloxyphenyl) formate
CID 18792339
2-[3-(carboxymethoxy)-5-formylphenoxy]acetic acid
CID 57316447

Frequently Asked Questions

What is the IUPAC name of (3-formyl-5-formyloxyphenyl)boronic acid?
The IUPAC name of (3-formyl-5-formyloxyphenyl)boronic acid (CID 176640251) is (3-formyl-5-formyloxyphenyl)boronic acid.
What is the SMILES notation for (3-formyl-5-formyloxyphenyl)boronic acid?
The canonical SMILES for (3-formyl-5-formyloxyphenyl)boronic acid is O=COc1cc(C=O)cc(B(O)O)c1.
What is the InChIKey of (3-formyl-5-formyloxyphenyl)boronic acid?
The InChIKey is PSADTPQZADGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BO5/c10-4-6-1-7(9(12)13)3-8(2-6)14-5-11/h1-5,12-13H.
What are the key properties of (3-formyl-5-formyloxyphenyl)boronic acid?
(3-formyl-5-formyloxyphenyl)boronic acid has a molecular weight of 193.95 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyl-5-formyloxyphenyl)boronic acid is sourced from PubChem (CID 176640251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).