2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid

C19H28O3 — CID 83942402

IUPAC2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(OCC(C)C)c(C(C)CC2CC2C(=O)O)c1
InChIInChI=1S/C19H28O3/c1-11(2)10-22-18-14(5)6-12(3)7-16(18)13(4)8-15-9-17(15)19(20)21/h6-7,11,13,15,17H,8-10H2,1-5H3,(H,20,21)
InChIKeyPEMVYPXJZUJBEM-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.55
Rot. Bonds7

About 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid

2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid (PubChem CID 83942402) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid
PubChem CID83942402
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(OCC(C)C)c(C(C)CC2CC2C(=O)O)c1
InChIInChI=1S/C19H28O3/c1-11(2)10-22-18-14(5)6-12(3)7-16(18)13(4)8-15-9-17(15)19(20)21/h6-7,11,13,15,17H,8-10H2,1-5H3,(H,20,21)
InChIKeyPEMVYPXJZUJBEM-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylate
CID 83942400
2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83941287
1-(4-chlorobutan-2-yl)-3,5-dimethyl-2-(2-methylpropoxy)benzene
CID 83942283
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386
4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-4-oxobutanoic acid
CID 82551893
2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83922808
2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83942398
2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83944113
2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83936147
2-[2-(2,5-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83928197
5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82551889
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid (CID 83942402) is 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid is Cc1cc(C)c(OCC(C)C)c(C(C)CC2CC2C(=O)O)c1.
What is the InChIKey of 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid?
The InChIKey is PEMVYPXJZUJBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-11(2)10-22-18-14(5)6-12(3)7-16(18)13(4)8-15-9-17(15)19(20)21/h6-7,11,13,15,17H,8-10H2,1-5H3,(H,20,21).
What are the key properties of 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid?
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid has a molecular weight of 304.43 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83942402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).