(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid

C12H17NO3 — CID 115170855

IUPAC(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
SMILESCOc1c(C)cc(CNC(=O)O)c(C)c1C
InChIInChI=1S/C12H17NO3/c1-7-5-10(6-13-12(14)15)8(2)9(3)11(7)16-4/h5,13H,6H2,1-4H3,(H,14,15)
InChIKeyBYJBIZURFLOKGP-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.39
Rot. Bonds3

About (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid

(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid (PubChem CID 115170855) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
PubChem CID115170855
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
SMILESCOc1c(C)cc(CNC(=O)O)c(C)c1C
InChIInChI=1S/C12H17NO3/c1-7-5-10(6-13-12(14)15)8(2)9(3)11(7)16-4/h5,13H,6H2,1-4H3,(H,14,15)
InChIKeyBYJBIZURFLOKGP-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643
2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 115173093
2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158865
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid
CID 116926839
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
CID 115171275
2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110769367
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol
CID 115134064
methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
CID 116931308

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid?
The IUPAC name of (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid (CID 115170855) is (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid.
What is the SMILES notation for (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid?
The canonical SMILES for (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid is COc1c(C)cc(CNC(=O)O)c(C)c1C.
What is the InChIKey of (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid?
The InChIKey is BYJBIZURFLOKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-5-10(6-13-12(14)15)8(2)9(3)11(7)16-4/h5,13H,6H2,1-4H3,(H,14,15).
What are the key properties of (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid?
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid has a molecular weight of 223.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid is sourced from PubChem (CID 115170855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).