(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid

C11H15NO3 — CID 115170741

IUPAC(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
SMILESCOc1c(C)cc(C)cc1N(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-7-5-8(2)10(15-4)9(6-7)12(3)11(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyPDEMUFOVEQBGSO-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.43
Rot. Bonds2

About (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid

(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid (PubChem CID 115170741) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
PubChem CID115170741
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
SMILESCOc1c(C)cc(C)cc1N(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-7-5-8(2)10(15-4)9(6-7)12(3)11(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyPDEMUFOVEQBGSO-UHFFFAOYSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-N,3,5-trimethylanilino)-3-oxopropanoic acid
CID 115163317
3-amino-N-(2-methoxy-3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161425
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
CID 115170774
N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 115159221
2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid
CID 115241124
2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221411
2-(4-methoxy-N,2,3,5-tetramethylanilino)-2-oxoacetic acid
CID 115141236
(5-chloro-2-methoxy-3-methylphenyl)-methylcarbamothioic S-acid
CID 115169836
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96672556

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid?
The IUPAC name of (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid (CID 115170741) is (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid.
What is the SMILES notation for (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid?
The canonical SMILES for (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid is COc1c(C)cc(C)cc1N(C)C(=O)O.
What is the InChIKey of (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid?
The InChIKey is PDEMUFOVEQBGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-8(2)10(15-4)9(6-7)12(3)11(13)14/h5-6H,1-4H3,(H,13,14).
What are the key properties of (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid?
(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid has a molecular weight of 209.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid is sourced from PubChem (CID 115170741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).