methyl-(3,4,5-trimethoxyphenyl)borinic acid

C10H15BO4 — CID 142167144

IUPACmethyl-(3,4,5-trimethoxyphenyl)borinic acid
SMILESCOc1cc(B(C)O)cc(OC)c1OC
InChIInChI=1S/C10H15BO4/c1-11(12)7-5-8(13-2)10(15-4)9(6-7)14-3/h5-6,12H,1-4H3
InChIKeyGWQBRZYKKDRUQZ-UHFFFAOYSA-N
MW210.04 g/mol
LogP0.53
Rot. Bonds4

About methyl-(3,4,5-trimethoxyphenyl)borinic acid

methyl-(3,4,5-trimethoxyphenyl)borinic acid (PubChem CID 142167144) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol. Its IUPAC name is methyl-(3,4,5-trimethoxyphenyl)borinic acid.

Molecular Properties

Compound Namemethyl-(3,4,5-trimethoxyphenyl)borinic acid
PubChem CID142167144
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Namemethyl-(3,4,5-trimethoxyphenyl)borinic acid
SMILESCOc1cc(B(C)O)cc(OC)c1OC
InChIInChI=1S/C10H15BO4/c1-11(12)7-5-8(13-2)10(15-4)9(6-7)14-3/h5-6,12H,1-4H3
InChIKeyGWQBRZYKKDRUQZ-UHFFFAOYSA-N
XLogP0.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid
CID 164891882
[4-(difluoromethoxy)-3-fluoro-5-methoxyphenyl]boronic acid
CID 164894423
2-(3,4,5-trimethoxyphenyl)guanidine
CID 10198427
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
CID 23270185
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
2,3,5,6-tetramethoxyaniline
CID 19093015

Frequently Asked Questions

What is the IUPAC name of methyl-(3,4,5-trimethoxyphenyl)borinic acid?
The IUPAC name of methyl-(3,4,5-trimethoxyphenyl)borinic acid (CID 142167144) is methyl-(3,4,5-trimethoxyphenyl)borinic acid.
What is the SMILES notation for methyl-(3,4,5-trimethoxyphenyl)borinic acid?
The canonical SMILES for methyl-(3,4,5-trimethoxyphenyl)borinic acid is COc1cc(B(C)O)cc(OC)c1OC.
What is the InChIKey of methyl-(3,4,5-trimethoxyphenyl)borinic acid?
The InChIKey is GWQBRZYKKDRUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO4/c1-11(12)7-5-8(13-2)10(15-4)9(6-7)14-3/h5-6,12H,1-4H3.
What are the key properties of methyl-(3,4,5-trimethoxyphenyl)borinic acid?
methyl-(3,4,5-trimethoxyphenyl)borinic acid has a molecular weight of 210.04 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3,4,5-trimethoxyphenyl)borinic acid is sourced from PubChem (CID 142167144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).