3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid

C15H22O3 — CID 116962917

IUPAC3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
SMILESCOc1c(C)c(C)cc(C)c1C(C)(C)CC(=O)O
InChIInChI=1S/C15H22O3/c1-9-7-10(2)13(14(18-6)11(9)3)15(4,5)8-12(16)17/h7H,8H2,1-6H3,(H,16,17)
InChIKeyFUZQYUHASIAJME-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.37
Rot. Bonds4

About 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid

3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid (PubChem CID 116962917) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
PubChem CID116962917
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
SMILESCOc1c(C)c(C)cc(C)c1C(C)(C)CC(=O)O
InChIInChI=1S/C15H22O3/c1-9-7-10(2)13(14(18-6)11(9)3)15(4,5)8-12(16)17/h7H,8H2,1-6H3,(H,16,17)
InChIKeyFUZQYUHASIAJME-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3-methylbutanoic acid
CID 117430031
3-(3,5-difluoro-2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 117437977
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118
3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid
CID 117384014
3-(3-bromo-4-methoxy-5-methylphenyl)-3-methylbutanoic acid
CID 117485174
3-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-3-methylbutanoic acid
CID 117462487
3-(3-chloro-4-hydroxy-2,6-dimethylphenyl)-3-methylbutanoic acid
CID 117395339
2-[[2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131588
3-(2-hydroxy-3,6-dimethylphenyl)-3-methylbutanoic acid
CID 59163131
3-(2-chloro-3-fluoro-5-hydroxy-6-methoxyphenyl)-3-methylbutanoic acid
CID 117443317
[2-(1-carboxy-2-methylpropan-2-yl)-3,5-dimethylphenoxy]carbonylmercury
CID 153400800
4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid
CID 116926839

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid (CID 116962917) is 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid is COc1c(C)c(C)cc(C)c1C(C)(C)CC(=O)O.
What is the InChIKey of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid?
The InChIKey is FUZQYUHASIAJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-7-10(2)13(14(18-6)11(9)3)15(4,5)8-12(16)17/h7H,8H2,1-6H3,(H,16,17).
What are the key properties of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid?
3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 116962917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).