2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid

C15H19ClO3 — CID 83940555

IUPAC2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cc(Cl)c(C)c1CCC1CC1C(=O)O
InChIInChI=1S/C15H19ClO3/c1-8-6-13(16)9(2)11(14(8)19-3)5-4-10-7-12(10)15(17)18/h6,10,12H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyKZSDECBEGHXLDE-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.62
Rot. Bonds5

About 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid

2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 83940555) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID83940555
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cc(Cl)c(C)c1CCC1CC1C(=O)O
InChIInChI=1S/C15H19ClO3/c1-8-6-13(16)9(2)11(14(8)19-3)5-4-10-7-12(10)15(17)18/h6,10,12H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyKZSDECBEGHXLDE-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
CID 82552401
3-(5-chloro-2-methoxy-3,6-dimethylphenyl)propane-1-thiol
CID 83940433
1-[(5-chloro-2-methoxy-3,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354228
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
methyl 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83940553
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
CID 117329552
2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928405
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221411
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84781042
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-oxoacetic acid
CID 117358565
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 84814002

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid (CID 83940555) is 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid is COc1c(C)cc(Cl)c(C)c1CCC1CC1C(=O)O.
What is the InChIKey of 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is KZSDECBEGHXLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-8-6-13(16)9(2)11(14(8)19-3)5-4-10-7-12(10)15(17)18/h6,10,12H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid?
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83940555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).