3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid

C18H26O3 — CID 117469299

IUPAC3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid
SMILESCCc1ccc(C(C)C)c(C(CC(=O)O)C2CC2)c1OC
InChIInChI=1S/C18H26O3/c1-5-12-8-9-14(11(2)3)17(18(12)21-4)15(10-16(19)20)13-6-7-13/h8-9,11,13,15H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyFSTKRXCZDHZBDJ-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.35
Rot. Bonds7

About 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid

3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid (PubChem CID 117469299) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid
PubChem CID117469299
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid
SMILESCCc1ccc(C(C)C)c(C(CC(=O)O)C2CC2)c1OC
InChIInChI=1S/C18H26O3/c1-5-12-8-9-14(11(2)3)17(18(12)21-4)15(10-16(19)20)13-6-7-13/h8-9,11,13,15H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyFSTKRXCZDHZBDJ-UHFFFAOYSA-N
XLogP4.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 117373940
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117446254
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783
3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677
3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425288
3-(3-chloro-2-methoxy-6-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425303

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid (CID 117469299) is 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid is CCc1ccc(C(C)C)c(C(CC(=O)O)C2CC2)c1OC.
What is the InChIKey of 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid?
The InChIKey is FSTKRXCZDHZBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-5-12-8-9-14(11(2)3)17(18(12)21-4)15(10-16(19)20)13-6-7-13/h8-9,11,13,15H,5-7,10H2,1-4H3,(H,19,20).
What are the key properties of 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid?
3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid has a molecular weight of 290.40 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 117469299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).