propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate

C14H18O3 — CID 89159751

IUPACpropyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate
SMILESC=C[C@@H](CC(=O)OCCC)c1ccc(O)cc1
InChIInChI=1S/C14H18O3/c1-3-9-17-14(16)10-11(4-2)12-5-7-13(15)8-6-12/h4-8,11,15H,2-3,9-10H2,1H3/t11-/m0/s1
InChIKeyPENGPBPISDNHJD-NSHDSACASA-N
MW234.29 g/mol
LogP3.01
Rot. Bonds6

About propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate

propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate (PubChem CID 89159751) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate.

Molecular Properties

Compound Namepropyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate
PubChem CID89159751
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namepropyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate
SMILESC=C[C@@H](CC(=O)OCCC)c1ccc(O)cc1
InChIInChI=1S/C14H18O3/c1-3-9-17-14(16)10-11(4-2)12-5-7-13(15)8-6-12/h4-8,11,15H,2-3,9-10H2,1H3/t11-/m0/s1
InChIKeyPENGPBPISDNHJD-NSHDSACASA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-3-(4-chlorophenyl)pent-4-enoate
CID 154714131
prop-1-ene;propyl 4-hydroxybenzoate
CID 67107873
methyl (3S)-3-phenylpent-4-enoate
CID 10511884
octadecyl 3-(4-hydroxyphenyl)heptanoate
CID 174400127
4-methylphenol;propyl propanoate
CID 174290139
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
propyl 3-hydroxy-3-(4-methylphenyl)propanoate
CID 73003884
propyl 4-hydroxybenzoate
CID 66683808
propyl 3-amino-3-(4-ethylphenyl)propanoate
CID 23109989
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
ethyl 4,4-bis(4-hydroxyphenyl)-3-methylbutanoate
CID 70442287
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519

Frequently Asked Questions

What is the IUPAC name of propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate?
The IUPAC name of propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate (CID 89159751) is propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate.
What is the SMILES notation for propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate?
The canonical SMILES for propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate is C=C[C@@H](CC(=O)OCCC)c1ccc(O)cc1.
What is the InChIKey of propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate?
The InChIKey is PENGPBPISDNHJD-NSHDSACASA-N. The full InChI is InChI=1S/C14H18O3/c1-3-9-17-14(16)10-11(4-2)12-5-7-13(15)8-6-12/h4-8,11,15H,2-3,9-10H2,1H3/t11-/m0/s1.
What are the key properties of propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate?
propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate has a molecular weight of 234.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (3R)-3-(4-hydroxyphenyl)pent-4-enoate is sourced from PubChem (CID 89159751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).