ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate

C15H20O4 — CID 174368317

IUPACethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate
SMILESC=CCOc1cc(C(C)CC(=O)OCC)ccc1O
InChIInChI=1S/C15H20O4/c1-4-8-19-14-10-12(6-7-13(14)16)11(3)9-15(17)18-5-2/h4,6-7,10-11,16H,1,5,8-9H2,2-3H3
InChIKeySCTCWNFVULDCNZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.01
Rot. Bonds7

About ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate

ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate (PubChem CID 174368317) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate
PubChem CID174368317
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate
SMILESC=CCOc1cc(C(C)CC(=O)OCC)ccc1O
InChIInChI=1S/C15H20O4/c1-4-8-19-14-10-12(6-7-13(14)16)11(3)9-15(17)18-5-2/h4,6-7,10-11,16H,1,5,8-9H2,2-3H3
InChIKeySCTCWNFVULDCNZ-UHFFFAOYSA-N
XLogP3.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoate
CID 10467872
4-[(1R)-1-aminobut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171200827
ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
ethyl 3-(4-cycloheptyl-3-hydroxyphenyl)butanoate
CID 22718788
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate
CID 10084052
ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate
CID 11427072
(E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoic acid
CID 10444014
ethyl (3R)-3-[4-(methylsulfonyloxymethyl)phenyl]butanoate
CID 87773070
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171220395
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide
CID 58190079

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate?
The IUPAC name of ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate (CID 174368317) is ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate.
What is the SMILES notation for ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate?
The canonical SMILES for ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate is C=CCOc1cc(C(C)CC(=O)OCC)ccc1O.
What is the InChIKey of ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate?
The InChIKey is SCTCWNFVULDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-8-19-14-10-12(6-7-13(14)16)11(3)9-15(17)18-5-2/h4,6-7,10-11,16H,1,5,8-9H2,2-3H3.
What are the key properties of ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate?
ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate has a molecular weight of 264.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate is sourced from PubChem (CID 174368317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).