[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid

C12H17NO5 — CID 54242139

IUPAC[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
SMILESCOc1ccccc1OCC(O)CN(C)C(=O)O
InChIInChI=1S/C12H17NO5/c1-13(12(15)16)7-9(14)8-18-11-6-4-3-5-10(11)17-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyQQTALVQTWOHOLG-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.04
Rot. Bonds6

About [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid

[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid (PubChem CID 54242139) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
PubChem CID54242139
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
SMILESCOc1ccccc1OCC(O)CN(C)C(=O)O
InChIInChI=1S/C12H17NO5/c1-13(12(15)16)7-9(14)8-18-11-6-4-3-5-10(11)17-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyQQTALVQTWOHOLG-UHFFFAOYSA-N
XLogP1.04
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid 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

(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840949
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
CID 117236738
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride
CID 67865663
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
CID 165430264
N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 95787037
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid
CID 21243396

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid?
The IUPAC name of [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid (CID 54242139) is [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid.
What is the SMILES notation for [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid?
The canonical SMILES for [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid is COc1ccccc1OCC(O)CN(C)C(=O)O.
What is the InChIKey of [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid?
The InChIKey is QQTALVQTWOHOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-13(12(15)16)7-9(14)8-18-11-6-4-3-5-10(11)17-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid?
[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid has a molecular weight of 255.27 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid is sourced from PubChem (CID 54242139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).