4-Propoxyphenylboronic acid

C9H13BO3CAS 186497-67-6180.01 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acidEther

Properties

Molecular formula
C9H13BO3
Molar mass
180.01 g/mol
Exact mass
180.0958 Da
logP
0.16Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
186497-67-6
SMILES
B(C1=CC=C(C=C1)OCCC)(O)O
InChIKey
SOKFEJKZYHYKSY-UHFFFAOYSA-N
InChI
InChI=1S/C9H13BO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Propoxyphenylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

B-(4-Butoxyphenyl)boronic acid105365-51-380 % similar (4-Pentyloxyphenyl)boronic acid146449-90-377 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-775 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-475 % similar 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)136370-19-975 % similar 4-Ethoxyphenylboronic acid22237-13-472 % similar 4'-Pentyloxybiphenyl-4-boronic Acid158937-25-871 % similar 4-Propoxyphenol18979-50-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethoxy-5-methylphenylboronic acid123291-97-4 2-Isopropoxyphenylboronic acid138008-97-6 3-Propoxyphenylboronic acid149557-18-6 4-Isopropoxybenzeneboronic acid153624-46-5 3-Isopropoxybenzeneboronic acid216485-86-8 3,5-Dimethyl-4-methoxybenzeneboronic acid301699-39-8 4-Ethoxy-2-methylphenylboronic acid313545-31-2 (2,6-Dimethyl-4-methoxyphenyl)boronic acid361543-99-9

Elsewhere

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