[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid

C10H14BNO6 — CID 142797913

IUPAC[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid
SMILESCOc1cc(C(=O)NCCO)ccc1OB(O)O
InChIInChI=1S/C10H14BNO6/c1-17-9-6-7(10(14)12-4-5-13)2-3-8(9)18-11(15)16/h2-3,6,13,15-16H,4-5H2,1H3,(H,12,14)
InChIKeyJLYVCPNYESZWQR-UHFFFAOYSA-N
MW255.03 g/mol
LogP-1.23
Rot. Bonds6

About [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid

[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid (PubChem CID 142797913) has the molecular formula C10H14BNO6 and a molecular weight of 255.03 g/mol. Its IUPAC name is [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid.

Molecular Properties

Compound Name[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid
PubChem CID142797913
Molecular FormulaC10H14BNO6
Molecular Weight255.03 g/mol
Exact Mass255.09
IUPAC Name[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid
SMILESCOc1cc(C(=O)NCCO)ccc1OB(O)O
InChIInChI=1S/C10H14BNO6/c1-17-9-6-7(10(14)12-4-5-13)2-3-8(9)18-11(15)16/h2-3,6,13,15-16H,4-5H2,1H3,(H,12,14)
InChIKeyJLYVCPNYESZWQR-UHFFFAOYSA-N
XLogP-1.23
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 129196340
[2-methoxy-4-(propan-2-ylcarbamoyl)phenoxy]boronic acid
CID 142797901
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid?
The IUPAC name of [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid (CID 142797913) is [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid.
What is the SMILES notation for [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid?
The canonical SMILES for [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid is COc1cc(C(=O)NCCO)ccc1OB(O)O.
What is the InChIKey of [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid?
The InChIKey is JLYVCPNYESZWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO6/c1-17-9-6-7(10(14)12-4-5-13)2-3-8(9)18-11(15)16/h2-3,6,13,15-16H,4-5H2,1H3,(H,12,14).
What are the key properties of [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid?
[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid has a molecular weight of 255.03 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethylcarbamoyl)-2-methoxyphenoxy]boronic acid is sourced from PubChem (CID 142797913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).