2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate

C21H24O4 — CID 167437972

IUPAC2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate
SMILESCOc1ccc(C(C)=COC(C)C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C21H24O4/c1-16(19-9-11-20(23-3)12-10-19)15-25-17(2)21(22)24-14-13-18-7-5-4-6-8-18/h4-12,15,17H,13-14H2,1-3H3
InChIKeyTYVCHPPBWHJVQW-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.25
Rot. Bonds8

About 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate

2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate (PubChem CID 167437972) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate.

Molecular Properties

Compound Name2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate
PubChem CID167437972
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate
SMILESCOc1ccc(C(C)=COC(C)C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C21H24O4/c1-16(19-9-11-20(23-3)12-10-19)15-25-17(2)21(22)24-14-13-18-7-5-4-6-8-18/h4-12,15,17H,13-14H2,1-3H3
InChIKeyTYVCHPPBWHJVQW-UHFFFAOYSA-N
XLogP4.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid
CID 175395056
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132
1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone
CID 18387003
2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate
CID 46819126
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
2-phenylethyl acetate
CID 7654
methyl (2R)-2-(3-phenylpropoxy)propanoate
CID 103337959
methyl (2S)-2-(3-phenylpropoxy)propanoate
CID 103337960
bis(2-phenylethyl) 2-[(2,5-dimethoxyphenyl)methyl]propanedioate
CID 66702297
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
acetic acid;2-phenylethyl acetate
CID 174791962

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate?
The IUPAC name of 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate (CID 167437972) is 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate.
What is the SMILES notation for 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate?
The canonical SMILES for 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate is COc1ccc(C(C)=COC(C)C(=O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate?
The InChIKey is TYVCHPPBWHJVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-16(19-9-11-20(23-3)12-10-19)15-25-17(2)21(22)24-14-13-18-7-5-4-6-8-18/h4-12,15,17H,13-14H2,1-3H3.
What are the key properties of 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate?
2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate has a molecular weight of 340.42 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate is sourced from PubChem (CID 167437972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).