ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate

C15H20O3 — CID 76598792

IUPACethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate
SMILESCCOC(=O)CC(CC1CC1)c1cccc(O)c1
InChIInChI=1S/C15H20O3/c1-2-18-15(17)10-13(8-11-6-7-11)12-4-3-5-14(16)9-12/h3-5,9,11,13,16H,2,6-8,10H2,1H3
InChIKeyKFYJLRXQQRXINW-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.23
Rot. Bonds6

About ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate

ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate (PubChem CID 76598792) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate
PubChem CID76598792
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate
SMILESCCOC(=O)CC(CC1CC1)c1cccc(O)c1
InChIInChI=1S/C15H20O3/c1-2-18-15(17)10-13(8-11-6-7-11)12-4-3-5-14(16)9-12/h3-5,9,11,13,16H,2,6-8,10H2,1H3
InChIKeyKFYJLRXQQRXINW-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate
CID 118653603
ethyl (3R)-3-(3-hydroxyphenyl)-4-methoxybutanoate
CID 125042068
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
[5-[[3-(1-cyclopropyl-4-ethoxy-4-oxobutan-2-yl)phenoxy]methyl]-2-(2-fluoro-5-methylphenyl)phenyl]-hydroxy-propan-2-ylsulfanium
CID 143789307
ethyl 3-(3-hydroxyphenyl)-2-methylbutanoate
CID 71083668
ethyl 3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 62396997
benzene-1,3-diol;ethyl acetate
CID 175540003
4-cyclopropyl-3-phenylbutanoic acid
CID 19827393
ethyl (3S)-4-cyclopropyl-3-[3-[[4-(2-fluoro-5-methoxyphenyl)-3-propylsulfonylphenyl]methoxy]phenyl]butanoate
CID 67430303
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 95793166

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate?
The IUPAC name of ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate (CID 76598792) is ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate.
What is the SMILES notation for ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate?
The canonical SMILES for ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate is CCOC(=O)CC(CC1CC1)c1cccc(O)c1.
What is the InChIKey of ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate?
The InChIKey is KFYJLRXQQRXINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-18-15(17)10-13(8-11-6-7-11)12-4-3-5-14(16)9-12/h3-5,9,11,13,16H,2,6-8,10H2,1H3.
What are the key properties of ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate?
ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate has a molecular weight of 248.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate is sourced from PubChem (CID 76598792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).