1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid

C12H14O3 — CID 16770133

IUPAC1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)ccc1C
InChIInChI=1S/C12H14O3/c1-8-3-4-9(7-10(8)15-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyWHSRBWOFSUGSHR-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid

1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 16770133) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID16770133
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)ccc1C
InChIInChI=1S/C12H14O3/c1-8-3-4-9(7-10(8)15-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyWHSRBWOFSUGSHR-UHFFFAOYSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid (CID 16770133) is 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid is COc1cc(C2(C(=O)O)CC2)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is WHSRBWOFSUGSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-3-4-9(7-10(8)15-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid?
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 16770133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).