1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C14H18O3 — CID 83487485

IUPAC1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(C)cc1C1(C(=O)O)CC1(C)C
InChIInChI=1S/C14H18O3/c1-9-5-6-11(17-4)10(7-9)14(12(15)16)8-13(14,2)3/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyYSGPHVBYCMRALG-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.76
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 83487485) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID83487485
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(C)cc1C1(C(=O)O)CC1(C)C
InChIInChI=1S/C14H18O3/c1-9-5-6-11(17-4)10(7-9)14(12(15)16)8-13(14,2)3/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyYSGPHVBYCMRALG-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (1S)-1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopentane-1-carboxylate
CID 101227147
2-(2-methoxy-5-methylphenyl)spiro[3.4]octane-2-carboxylic acid
CID 65003014
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679423
[1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 131427745
methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842814
methyl 1-(5-bromo-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842825
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
methyl 6-(2-methoxy-5-methylphenyl)-5-oxaspiro[2.4]heptane-6-carboxylate
CID 164571562
1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 117011695
1-[1-(2-methoxy-5-methylphenyl)cyclopropyl]ethanol
CID 83687634
methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
CID 172843058

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 83487485) is 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is COc1ccc(C)cc1C1(C(=O)O)CC1(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is YSGPHVBYCMRALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-5-6-11(17-4)10(7-9)14(12(15)16)8-13(14,2)3/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 234.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83487485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).