3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid

C14H20O4 — CID 117384014

IUPAC3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid
SMILESCOc1cc(C)c(C(C)(C)CC(=O)O)c(OC)c1
InChIInChI=1S/C14H20O4/c1-9-6-10(17-4)7-11(18-5)13(9)14(2,3)8-12(15)16/h6-7H,8H2,1-5H3,(H,15,16)
InChIKeySFRYGAXPVZLFTB-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.76
Rot. Bonds5

About 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid

3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid (PubChem CID 117384014) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid
PubChem CID117384014
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid
SMILESCOc1cc(C)c(C(C)(C)CC(=O)O)c(OC)c1
InChIInChI=1S/C14H20O4/c1-9-6-10(17-4)7-11(18-5)13(9)14(2,3)8-12(15)16/h6-7H,8H2,1-5H3,(H,15,16)
InChIKeySFRYGAXPVZLFTB-UHFFFAOYSA-N
XLogP2.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3-methylbutanoic acid
CID 117430031
3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
CID 116962917
3-(2,7-dimethoxynaphthalen-1-yl)-3-methylbutanoic acid
CID 117465791
3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-3-methylbutanoic acid
CID 117357340
[2-(1-carboxy-2-methylpropan-2-yl)-3,5-dimethylphenoxy]carbonylmercury
CID 153400800
3-(2,4-dimethyl-6-phosphorosooxyphenyl)-3-methylbutanoic acid
CID 23575529
3-(2-fluoro-3,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 117393930
3-(3-chloro-4-hydroxy-2,6-dimethylphenyl)-3-methylbutanoic acid
CID 117395339
4,4-difluoro-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28745556
3-[2-(3-aminopropanoyloxy)-4,6-dimethylphenyl]-3-methylbutanoic acid
CID 10501488
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid (CID 117384014) is 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid is COc1cc(C)c(C(C)(C)CC(=O)O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid?
The InChIKey is SFRYGAXPVZLFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9-6-10(17-4)7-11(18-5)13(9)14(2,3)8-12(15)16/h6-7H,8H2,1-5H3,(H,15,16).
What are the key properties of 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid?
3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117384014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).