3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid

C16H22O3 — CID 117410585

IUPAC3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
SMILESCOc1cc(C(CC(=O)O)C2CC2)ccc1C(C)C
InChIInChI=1S/C16H22O3/c1-10(2)13-7-6-12(8-15(13)19-3)14(9-16(17)18)11-4-5-11/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyGSIXBGQBHQRNGR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.79
Rot. Bonds6

About 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid

3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid (PubChem CID 117410585) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
PubChem CID117410585
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
SMILESCOc1cc(C(CC(=O)O)C2CC2)ccc1C(C)C
InChIInChI=1S/C16H22O3/c1-10(2)13-7-6-12(8-15(13)19-3)14(9-16(17)18)11-4-5-11/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyGSIXBGQBHQRNGR-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
CID 117379319
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
CID 117469302
3-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-3-cyclopropylpropanoic acid
CID 117478149
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
3-cyclopropyl-3-(7-methoxy-1-benzofuran-5-yl)propanoic acid
CID 117404625
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-cyclopropyl-3-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117477676

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid (CID 117410585) is 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid is COc1cc(C(CC(=O)O)C2CC2)ccc1C(C)C.
What is the InChIKey of 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid?
The InChIKey is GSIXBGQBHQRNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10(2)13-7-6-12(8-15(13)19-3)14(9-16(17)18)11-4-5-11/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid?
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 117410585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).