[2-hydroxy-3-(2-methylphenoxy)propyl] carbamate

C11H15NO4 — CID 10775

💊View drug profile → mephenesin carbamate
IUPAC[2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
SMILESCc1ccccc1OCC(O)COC(N)=O
InChIInChI=1S/C11H15NO4/c1-8-4-2-3-5-10(8)15-6-9(13)7-16-11(12)14/h2-5,9,13H,6-7H2,1H3,(H2,12,14)
InChIKeyKRPAJLYSLFNDOA-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.83
Rot. Bonds5

About [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate

[2-hydroxy-3-(2-methylphenoxy)propyl] carbamate (PubChem CID 10775) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
PubChem CID10775
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name[2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
SMILESCc1ccccc1OCC(O)COC(N)=O
InChIInChI=1S/C11H15NO4/c1-8-4-2-3-5-10(8)15-6-9(13)7-16-11(12)14/h2-5,9,13H,6-7H2,1H3,(H2,12,14)
InChIKeyKRPAJLYSLFNDOA-UHFFFAOYSA-N
XLogP0.83
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methocarbamol
CID 4107
Mephenesin
CID 4059
2-(2-Methylphenoxy)acetic acid
CID 74651
2-(2-Methylphenoxy)ethanol
CID 22539
3,6,9,12-Tetraoxatetradecan-1-ol, 14-(nonylphenoxy)-
CID 168503
1,2-Propanediol, 3-(o-ethylphenoxy)-
CID 98049
1-(2-Methylphenoxy)-2-propanol
CID 107264
2-(2-Methylphenoxy)propanoic acid
CID 165592
2-Propanol, 1,3-bis(o-tolyloxy)-
CID 96701
3-(4-(2-Methoxyethyl)phenoxy)propane-1,2-diol
CID 13186849
1-Propanol, 3-(o-tolyloxy)-
CID 104195
2-(2-Ethylphenoxy)acetic acid
CID 348579

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate?
The IUPAC name of [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate (CID 10775) is [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate.
What is the SMILES notation for [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate?
The canonical SMILES for [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate is Cc1ccccc1OCC(O)COC(N)=O.
What is the InChIKey of [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate?
The InChIKey is KRPAJLYSLFNDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8-4-2-3-5-10(8)15-6-9(13)7-16-11(12)14/h2-5,9,13H,6-7H2,1H3,(H2,12,14).
What are the key properties of [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate?
[2-hydroxy-3-(2-methylphenoxy)propyl] carbamate has a molecular weight of 225.24 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate is sourced from PubChem (CID 10775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).