3-phenoxybutan-2-yl carbamate

C11H15NO3 — CID 67862078

IUPAC3-phenoxybutan-2-yl carbamate
SMILESCC(OC(N)=O)C(C)Oc1ccccc1
InChIInChI=1S/C11H15NO3/c1-8(9(2)15-11(12)13)14-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,12,13)
InChIKeyGBJOQIVOTKRWKT-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.94
Rot. Bonds4

About 3-phenoxybutan-2-yl carbamate

3-phenoxybutan-2-yl carbamate (PubChem CID 67862078) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-phenoxybutan-2-yl carbamate.

Molecular Properties

Compound Name3-phenoxybutan-2-yl carbamate
PubChem CID67862078
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-phenoxybutan-2-yl carbamate
SMILESCC(OC(N)=O)C(C)Oc1ccccc1
InChIInChI=1S/C11H15NO3/c1-8(9(2)15-11(12)13)14-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,12,13)
InChIKeyGBJOQIVOTKRWKT-UHFFFAOYSA-N
XLogP1.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-3-phenoxybutan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 121462736
[(3R,4S)-4-phenoxypent-1-en-3-yl] (2S)-2-aminopropanoate
CID 121462770
3-phenylpentan-2-yl carbamate
CID 70616482
4-phenoxybutan-2-yl carbamate
CID 175408222
3-methyl-2-phenoxypentanamide
CID 173059765
[(2S,3R)-2-phenoxyhexan-3-yl] (2S)-2-aminopropanoate
CID 121462537
[(3S)-3-phenoxy-1-phenylbutan-2-yl] (2S)-2-aminopropanoate
CID 121462545
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
1-phenoxyethoxycarbonyloxy 1-phenoxyethyl carbonate
CID 88732415
[(2S,3R)-3-(3-fluorophenoxy)butan-2-yl] (2S)-2-aminopropanoate
CID 121466188
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355

Frequently Asked Questions

What is the IUPAC name of 3-phenoxybutan-2-yl carbamate?
The IUPAC name of 3-phenoxybutan-2-yl carbamate (CID 67862078) is 3-phenoxybutan-2-yl carbamate.
What is the SMILES notation for 3-phenoxybutan-2-yl carbamate?
The canonical SMILES for 3-phenoxybutan-2-yl carbamate is CC(OC(N)=O)C(C)Oc1ccccc1.
What is the InChIKey of 3-phenoxybutan-2-yl carbamate?
The InChIKey is GBJOQIVOTKRWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(9(2)15-11(12)13)14-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,12,13).
What are the key properties of 3-phenoxybutan-2-yl carbamate?
3-phenoxybutan-2-yl carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxybutan-2-yl carbamate is sourced from PubChem (CID 67862078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).