4-phenoxybutan-2-yl carbamate

C11H15NO3 — CID 175408222

IUPAC4-phenoxybutan-2-yl carbamate
SMILESCC(CCOc1ccccc1)OC(N)=O
InChIInChI=1S/C11H15NO3/c1-9(15-11(12)13)7-8-14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,12,13)
InChIKeyIHKKRGHLXNVABG-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.94
Rot. Bonds5

About 4-phenoxybutan-2-yl carbamate

4-phenoxybutan-2-yl carbamate (PubChem CID 175408222) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-phenoxybutan-2-yl carbamate.

Molecular Properties

Compound Name4-phenoxybutan-2-yl carbamate
PubChem CID175408222
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-phenoxybutan-2-yl carbamate
SMILESCC(CCOc1ccccc1)OC(N)=O
InChIInChI=1S/C11H15NO3/c1-9(15-11(12)13)7-8-14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,12,13)
InChIKeyIHKKRGHLXNVABG-UHFFFAOYSA-N
XLogP1.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 4-phenoxybutan-2-yl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-methyl-4-phenoxybutanoate
CID 174931468
2-phenoxyethyl 2-aminopropanoate
CID 61301873
2-butan-2-yloxycarbonyl-6-phenoxyhexanoic acid
CID 70556518
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
3-phenoxybutan-2-yl carbamate
CID 67862078
1,5-diphenoxypentan-3-ol
CID 5314309
2,3-dimethyl-6-phenoxyhexanoic acid
CID 81008154
propan-2-yl 4-phenoxybutanoate
CID 71627864
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-(2-aminoethyl)-4-phenoxybutanoic acid
CID 104680821
ethoxybenzene;3-methylbutyl 2-phenylacetate
CID 174913465
3-(3-phenoxypropyl)pentane-2,4-dione
CID 30842809

Frequently Asked Questions

What is the IUPAC name of 4-phenoxybutan-2-yl carbamate?
The IUPAC name of 4-phenoxybutan-2-yl carbamate (CID 175408222) is 4-phenoxybutan-2-yl carbamate.
What is the SMILES notation for 4-phenoxybutan-2-yl carbamate?
The canonical SMILES for 4-phenoxybutan-2-yl carbamate is CC(CCOc1ccccc1)OC(N)=O.
What is the InChIKey of 4-phenoxybutan-2-yl carbamate?
The InChIKey is IHKKRGHLXNVABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9(15-11(12)13)7-8-14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,12,13).
What are the key properties of 4-phenoxybutan-2-yl carbamate?
4-phenoxybutan-2-yl carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxybutan-2-yl carbamate is sourced from PubChem (CID 175408222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).