ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate

C14H18O3 — CID 118653603

IUPACethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](c1cccc(O)c1)C1CC1
InChIInChI=1S/C14H18O3/c1-2-17-14(16)9-13(10-6-7-10)11-4-3-5-12(15)8-11/h3-5,8,10,13,15H,2,6-7,9H2,1H3/t13-/m0/s1
InChIKeyMCZRXTLJXLCSFI-ZDUSSCGKSA-N
MW234.30 g/mol
LogP2.84
Rot. Bonds5

About ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate

ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate (PubChem CID 118653603) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate
PubChem CID118653603
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Nameethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](c1cccc(O)c1)C1CC1
InChIInChI=1S/C14H18O3/c1-2-17-14(16)9-13(10-6-7-10)11-4-3-5-12(15)8-11/h3-5,8,10,13,15H,2,6-7,9H2,1H3/t13-/m0/s1
InChIKeyMCZRXTLJXLCSFI-ZDUSSCGKSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate
CID 76598792
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate
CID 176905020
methyl 2-cyclopropyl-2-(3-hydroxyphenyl)ethanesulfonate
CID 156844307
ethyl (3R)-3-(3-hydroxyphenyl)-4-methoxybutanoate
CID 125042068
ethyl 3-(3-hydroxyphenyl)-2-methylbutanoate
CID 71083668
3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
CID 117405507
ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
CID 18071355
(1S)-1-cyclopropyl-1-(3-phenylmethoxyphenyl)pentan-3-one
CID 147124935
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 95793166
ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 71692313

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate?
The IUPAC name of ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate (CID 118653603) is ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate is CCOC(=O)C[C@H](c1cccc(O)c1)C1CC1.
What is the InChIKey of ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate?
The InChIKey is MCZRXTLJXLCSFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-17-14(16)9-13(10-6-7-10)11-4-3-5-12(15)8-11/h3-5,8,10,13,15H,2,6-7,9H2,1H3/t13-/m0/s1.
What are the key properties of ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate?
ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate has a molecular weight of 234.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate is sourced from PubChem (CID 118653603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).