(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid

C12H16BrNO3 — CID 115170804

IUPAC(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
SMILESCOc1c(C)c(C)c(Br)c(C)c1N(C)C(=O)O
InChIInChI=1S/C12H16BrNO3/c1-6-7(2)11(17-5)10(8(3)9(6)13)14(4)12(15)16/h1-5H3,(H,15,16)
InChIKeyVRZYBVACKNTWLP-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.50
Rot. Bonds2

About (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid

(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid (PubChem CID 115170804) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
PubChem CID115170804
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
SMILESCOc1c(C)c(C)c(Br)c(C)c1N(C)C(=O)O
InChIInChI=1S/C12H16BrNO3/c1-6-7(2)11(17-5)10(8(3)9(6)13)14(4)12(15)16/h1-5H3,(H,15,16)
InChIKeyVRZYBVACKNTWLP-UHFFFAOYSA-N
XLogP3.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138956
2-(5-bromo-2-methoxy-N,3,4,6-tetramethylanilino)acetaldehyde
CID 115222859
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylacetohydrazide
CID 116847529
5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260712
5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide
CID 116827649
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-sulfanylethanone
CID 116829936
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116928722
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
CID 115194439
methyl 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)prop-2-enoate
CID 116843289
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide
CID 115166155
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
2-[1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)cyclopropyl]acetic acid
CID 117107700

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid?
The IUPAC name of (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid (CID 115170804) is (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid.
What is the SMILES notation for (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid?
The canonical SMILES for (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid is COc1c(C)c(C)c(Br)c(C)c1N(C)C(=O)O.
What is the InChIKey of (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid?
The InChIKey is VRZYBVACKNTWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-6-7(2)11(17-5)10(8(3)9(6)13)14(4)12(15)16/h1-5H3,(H,15,16).
What are the key properties of (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid?
(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid has a molecular weight of 302.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid is sourced from PubChem (CID 115170804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).