4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid

C14H20O3 — CID 65298753

IUPAC4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
SMILESCOc1ccc(C)cc1CCC(C)(C)C(=O)O
InChIInChI=1S/C14H20O3/c1-10-5-6-12(17-4)11(9-10)7-8-14(2,3)13(15)16/h5-6,9H,7-8H2,1-4H3,(H,15,16)
InChIKeyJZOHDISDUXRNKO-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.05
Rot. Bonds5

About 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid

4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid (PubChem CID 65298753) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
PubChem CID65298753
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
SMILESCOc1ccc(C)cc1CCC(C)(C)C(=O)O
InChIInChI=1S/C14H20O3/c1-10-5-6-12(17-4)11(9-10)7-8-14(2,3)13(15)16/h5-6,9H,7-8H2,1-4H3,(H,15,16)
InChIKeyJZOHDISDUXRNKO-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-2,2-dimethylbutanoic acid
CID 82120597
4-(3,4-dimethoxyphenyl)-2,2-dimethylbutanoic acid
CID 65298131
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79016754
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpentanamide
CID 119693075
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306595
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
1-tert-butylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 65133136

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid (CID 65298753) is 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid is COc1ccc(C)cc1CCC(C)(C)C(=O)O.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid?
The InChIKey is JZOHDISDUXRNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-5-6-12(17-4)11(9-10)7-8-14(2,3)13(15)16/h5-6,9H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid?
4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65298753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).