2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid

C16H22O3 — CID 83941765

IUPAC2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(CCC2CC2C(=O)O)c(CC)c1
InChIInChI=1S/C16H22O3/c1-3-11-9-14(19-4-2)8-7-12(11)5-6-13-10-15(13)16(17)18/h7-9,13,15H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyCGJFDJTXFMHHAZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.30
Rot. Bonds7

About 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid

2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 83941765) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID83941765
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(CCC2CC2C(=O)O)c(CC)c1
InChIInChI=1S/C16H22O3/c1-3-11-9-14(19-4-2)8-7-12(11)5-6-13-10-15(13)16(17)18/h7-9,13,15H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyCGJFDJTXFMHHAZ-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83934033
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
1-(3-bromopropyl)-4-ethoxy-2-ethylbenzene
CID 83941643
cyclopropyl-(4-ethoxy-2-ethylphenyl)methanone
CID 82267347
4-(4-ethoxy-2-ethylphenyl)butanenitrile
CID 83941707
methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938289
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
2-[2-(4-aminophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112718089
3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid
CID 82551979
trans-(1R,2S)-2-[2-(4-iodophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 130404266

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid (CID 83941765) is 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid is CCOc1ccc(CCC2CC2C(=O)O)c(CC)c1.
What is the InChIKey of 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is CGJFDJTXFMHHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-11-9-14(19-4-2)8-7-12(11)5-6-13-10-15(13)16(17)18/h7-9,13,15H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid?
2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83941765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).