1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C19H20O4 — CID 175420091

IUPAC1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCCC(OC(=O)C=Cc1ccc(O)c(OC)c1)c1ccccc1
InChIInChI=1S/C19H20O4/c1-3-17(15-7-5-4-6-8-15)23-19(21)12-10-14-9-11-16(20)18(13-14)22-2/h4-13,17,20H,3H2,1-2H3
InChIKeyQXXZQBZGEVKSDO-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.11
Rot. Bonds6

About 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 175420091) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
PubChem CID175420091
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCCC(OC(=O)C=Cc1ccc(O)c(OC)c1)c1ccccc1
InChIInChI=1S/C19H20O4/c1-3-17(15-7-5-4-6-8-15)23-19(21)12-10-14-9-11-16(20)18(13-14)22-2/h4-13,17,20H,3H2,1-2H3
InChIKeyQXXZQBZGEVKSDO-UHFFFAOYSA-N
XLogP4.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 8663438
1-phenylethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 20980889
2,3-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]butanedioic acid
CID 46202731
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 9418321
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
CID 175420096
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;1-phenylheptylbenzene
CID 175027137
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2342829
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
[(1S)-1,2-diphenylethyl] (Z)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 97435275
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 16527122

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CID 175420091) is 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is CCC(OC(=O)C=Cc1ccc(O)c(OC)c1)c1ccccc1.
What is the InChIKey of 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is QXXZQBZGEVKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-17(15-7-5-4-6-8-15)23-19(21)12-10-14-9-11-16(20)18(13-14)22-2/h4-13,17,20H,3H2,1-2H3.
What are the key properties of 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 175420091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).