[1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate

C11H15NO5 — CID 46889921

IUPAC[1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate
SMILESCOc1ccccc1OCC(CO)OC(N)=O
InChIInChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-7-8(6-13)17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKeySGJBZNIRQFJMEA-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.53
Rot. Bonds6

About [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate

[1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate (PubChem CID 46889921) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate.

Molecular Properties

Compound Name[1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate
PubChem CID46889921
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name[1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate
SMILESCOc1ccccc1OCC(CO)OC(N)=O
InChIInChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-7-8(6-13)17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKeySGJBZNIRQFJMEA-UHFFFAOYSA-N
XLogP0.53
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate?
The IUPAC name of [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate (CID 46889921) is [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate.
What is the SMILES notation for [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate?
The canonical SMILES for [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate is COc1ccccc1OCC(CO)OC(N)=O.
What is the InChIKey of [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate?
The InChIKey is SGJBZNIRQFJMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-7-8(6-13)17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14).
What are the key properties of [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate?
[1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate has a molecular weight of 241.24 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate is sourced from PubChem (CID 46889921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).