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

C11H15NO5 — CID 4107

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

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

[2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate (PubChem CID 4107) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate
PubChem CID4107
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name[2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate
SMILESCOc1ccccc1OCC(O)COC(N)=O
InChIInChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKeyGNXFOGHNGIVQEH-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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Related Compounds

Propoxur
CID 4944
Guaifenesin
CID 3516
Chlorphenesin Carbamate
CID 2724
2-(2-Methoxyphenoxy)acetic acid
CID 15882
2-(2-Methoxyphenoxy)propanoic acid
CID 202020
2-Hydroxy-3-phenoxypropyl prop-2-enoate
CID 4443516
guaifenesin beta-isomer
CID 84154
1,3-Bis(2-methoxyphenoxy)-2-propanol
CID 97669
3-(2-Hydroxyphenoxy)propane-1,2-diol
CID 89231
1,2-Propanediol, 3-(2-methylphenoxy)-, 1-carbamate
CID 10775
3-(2-Methoxyphenoxy)propanoic acid
CID 776001
2,2'-(1,2-Phenylenebis(oxy))bisacetic acid
CID 79427

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate?
The IUPAC name of [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate (CID 4107) is [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate.
What is the SMILES notation for [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate?
The canonical SMILES for [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate is COc1ccccc1OCC(O)COC(N)=O.
What is the InChIKey of [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate?
The InChIKey is GNXFOGHNGIVQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14).
What are the key properties of [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate?
[2-hydroxy-3-(2-methoxyphenoxy)propyl] 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 [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate is sourced from PubChem (CID 4107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).