3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid

C14H18O5 — CID 117419605

IUPAC3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
SMILESCOc1cc(O)c(C(CC(=O)O)C2CC2)cc1OC
InChIInChI=1S/C14H18O5/c1-18-12-5-10(11(15)7-13(12)19-2)9(6-14(16)17)8-3-4-8/h5,7-9,15H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyHRPNZLNVDRJZDT-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.38
Rot. Bonds6

About 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid

3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid (PubChem CID 117419605) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
PubChem CID117419605
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
SMILESCOc1cc(O)c(C(CC(=O)O)C2CC2)cc1OC
InChIInChI=1S/C14H18O5/c1-18-12-5-10(11(15)7-13(12)19-2)9(6-14(16)17)8-3-4-8/h5,7-9,15H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyHRPNZLNVDRJZDT-UHFFFAOYSA-N
XLogP2.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
3-cyclopropyl-3-(2,4-dihydroxy-5-methoxycarbonylphenyl)propanoic acid
CID 117449755
3-cyclopropyl-3-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117477676
3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117469295
3-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117484375
3-(5-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429787
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
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-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-cyclopropyl-3-(5-hydroxy-4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 117415157
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117484373

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid (CID 117419605) is 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid is COc1cc(O)c(C(CC(=O)O)C2CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid?
The InChIKey is HRPNZLNVDRJZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-18-12-5-10(11(15)7-13(12)19-2)9(6-14(16)17)8-3-4-8/h5,7-9,15H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid?
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 117419605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).