(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid

C13H19NO3 — CID 115170722

IUPAC(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
SMILESCOc1cc(C)c(N(C)C(=O)O)cc1C(C)C
InChIInChI=1S/C13H19NO3/c1-8(2)10-7-11(14(4)13(15)16)9(3)6-12(10)17-5/h6-8H,1-5H3,(H,15,16)
InChIKeyXXUUAOVOTTUEQS-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.24
Rot. Bonds3

About (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid

(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid (PubChem CID 115170722) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
PubChem CID115170722
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
SMILESCOc1cc(C)c(N(C)C(=O)O)cc1C(C)C
InChIInChI=1S/C13H19NO3/c1-8(2)10-7-11(14(4)13(15)16)9(3)6-12(10)17-5/h6-8H,1-5H3,(H,15,16)
InChIKeyXXUUAOVOTTUEQS-UHFFFAOYSA-N
XLogP3.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate
CID 115190466
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 115166049
4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115258354
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N,N'-dimethylmethanediamine
CID 115226664
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
CID 96674273
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 82232441
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131764
(4,5-dimethoxy-2-methylphenyl)-methylcarbamothioic S-acid
CID 115169847
N-(4,5-dimethoxy-2-methylphenyl)-N-methylcarbamoyl bromide
CID 115193445
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid?
The IUPAC name of (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid (CID 115170722) is (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid.
What is the SMILES notation for (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid?
The canonical SMILES for (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid is COc1cc(C)c(N(C)C(=O)O)cc1C(C)C.
What is the InChIKey of (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid?
The InChIKey is XXUUAOVOTTUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)10-7-11(14(4)13(15)16)9(3)6-12(10)17-5/h6-8H,1-5H3,(H,15,16).
What are the key properties of (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid?
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid has a molecular weight of 237.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid is sourced from PubChem (CID 115170722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).