3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid

C17H24O3 — CID 117107768

IUPAC3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid
SMILESCOC(C)(C)Cc1ccccc1C(CC(=O)O)C1CC1
InChIInChI=1S/C17H24O3/c1-17(2,20-3)11-13-6-4-5-7-14(13)15(10-16(18)19)12-8-9-12/h4-7,12,15H,8-11H2,1-3H3,(H,18,19)
InChIKeyKSKHNPAHYSMMQR-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.62
Rot. Bonds7

About 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid

3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid (PubChem CID 117107768) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid
PubChem CID117107768
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid
SMILESCOC(C)(C)Cc1ccccc1C(CC(=O)O)C1CC1
InChIInChI=1S/C17H24O3/c1-17(2,20-3)11-13-6-4-5-7-14(13)15(10-16(18)19)12-8-9-12/h4-7,12,15H,8-11H2,1-3H3,(H,18,19)
InChIKeyKSKHNPAHYSMMQR-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117107758
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CID 117388777
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932
3-cyclopropyl-3-[2-(pyrrolidin-1-ylmethyl)phenyl]propanoic acid
CID 117436283
3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117442474
3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117469192
2-(2-methoxy-2-methylpropyl)benzoic acid
CID 117111489
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011725
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783
3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117469295
3-cyclopropyl-3-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]propanoic acid
CID 117495334

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid (CID 117107768) is 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid is COC(C)(C)Cc1ccccc1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid?
The InChIKey is KSKHNPAHYSMMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(2,20-3)11-13-6-4-5-7-14(13)15(10-16(18)19)12-8-9-12/h4-7,12,15H,8-11H2,1-3H3,(H,18,19).
What are the key properties of 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid?
3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid is sourced from PubChem (CID 117107768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).