methyl-(4-propan-2-yloxyphenyl)borinic acid

C10H15BO2 — CID 67978500

IUPACmethyl-(4-propan-2-yloxyphenyl)borinic acid
SMILESCB(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C10H15BO2/c1-8(2)13-10-6-4-9(5-7-10)11(3)12/h4-8,12H,1-3H3
InChIKeyMONCYERSSZQTBH-UHFFFAOYSA-N
MW178.04 g/mol
LogP1.29
Rot. Bonds3

About methyl-(4-propan-2-yloxyphenyl)borinic acid

methyl-(4-propan-2-yloxyphenyl)borinic acid (PubChem CID 67978500) has the molecular formula C10H15BO2 and a molecular weight of 178.04 g/mol. Its IUPAC name is methyl-(4-propan-2-yloxyphenyl)borinic acid.

Molecular Properties

Compound Namemethyl-(4-propan-2-yloxyphenyl)borinic acid
PubChem CID67978500
Molecular FormulaC10H15BO2
Molecular Weight178.04 g/mol
Exact Mass178.12
IUPAC Namemethyl-(4-propan-2-yloxyphenyl)borinic acid
SMILESCB(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C10H15BO2/c1-8(2)13-10-6-4-9(5-7-10)11(3)12/h4-8,12H,1-3H3
InChIKeyMONCYERSSZQTBH-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.04
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-propan-2-yloxyphenol
CID 142348653
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921
N-methyl-4-propan-2-yloxyaniline
CID 18002910
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
(4-pentan-3-yloxyphenyl)boronic acid
CID 58007662
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
1-nitroso-4-propan-2-yloxybenzene
CID 102138194

Frequently Asked Questions

What is the IUPAC name of methyl-(4-propan-2-yloxyphenyl)borinic acid?
The IUPAC name of methyl-(4-propan-2-yloxyphenyl)borinic acid (CID 67978500) is methyl-(4-propan-2-yloxyphenyl)borinic acid.
What is the SMILES notation for methyl-(4-propan-2-yloxyphenyl)borinic acid?
The canonical SMILES for methyl-(4-propan-2-yloxyphenyl)borinic acid is CB(O)c1ccc(OC(C)C)cc1.
What is the InChIKey of methyl-(4-propan-2-yloxyphenyl)borinic acid?
The InChIKey is MONCYERSSZQTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO2/c1-8(2)13-10-6-4-9(5-7-10)11(3)12/h4-8,12H,1-3H3.
What are the key properties of methyl-(4-propan-2-yloxyphenyl)borinic acid?
methyl-(4-propan-2-yloxyphenyl)borinic acid has a molecular weight of 178.04 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-propan-2-yloxyphenyl)borinic acid is sourced from PubChem (CID 67978500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).