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

C11H15NO4 — CID 76969657

IUPAC[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
SMILESCc1ccccc1OC[C@H](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)/t9-/m0/s1
InChIKeyKRPAJLYSLFNDOA-VIFPVBQESA-N
MW225.24 g/mol
LogP0.83
Rot. Bonds5

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

[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate (PubChem CID 76969657) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
PubChem CID76969657
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
SMILESCc1ccccc1OC[C@H](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)/t9-/m0/s1
InChIKeyKRPAJLYSLFNDOA-VIFPVBQESA-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

[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride
CID 138396991
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] nitrate
CID 177494684
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
CID 43531505
CID 164999747
CID 164999747
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
ethane;[2-hydroxy-3-(2-methylphenoxy)propyl] anthracene-9-carboxylate;(2-hydroxy-3-naphthalen-1-yloxypropyl) anthracene-9-carboxylate;propane
CID 167607842
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
CID 165353807
2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
CID 24848295
2-fluoro-3-(2-methylphenoxy)propanoic acid
CID 105451332
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate?
The IUPAC name of [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate (CID 76969657) is [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate.
What is the SMILES notation for [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate?
The canonical SMILES for [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate is Cc1ccccc1OC[C@H](O)COC(N)=O.
What is the InChIKey of [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate?
The InChIKey is KRPAJLYSLFNDOA-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate?
[(2S)-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 [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate is sourced from PubChem (CID 76969657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).