[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate

C19H18O5 — CID 155042421

IUPAC[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
SMILESCOc1cc(/C=C/c2ccc(OC(C)=O)cc2)cc(OC(C)=O)c1
InChIInChI=1S/C19H18O5/c1-13(20)23-17-8-6-15(7-9-17)4-5-16-10-18(22-3)12-19(11-16)24-14(2)21/h4-12H,1-3H3/b5-4+
InChIKeyICSCWPFKCKLVMM-SNAWJCMRSA-N
MW326.35 g/mol
LogP3.72
Rot. Bonds5

About [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate

[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate (PubChem CID 155042421) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
PubChem CID155042421
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
SMILESCOc1cc(/C=C/c2ccc(OC(C)=O)cc2)cc(OC(C)=O)c1
InChIInChI=1S/C19H18O5/c1-13(20)23-17-8-6-15(7-9-17)4-5-16-10-18(22-3)12-19(11-16)24-14(2)21/h4-12H,1-3H3/b5-4+
InChIKeyICSCWPFKCKLVMM-SNAWJCMRSA-N
XLogP3.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate
CID 174666755
[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 59301729
[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 6918862
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
4-[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenoxy]-4-oxobutanoic acid
CID 159057426
[2-chloro-4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] acetate
CID 68612439
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 2-aminoacetate;hydrochloride
CID 46190957
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate
CID 78127654
[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate
CID 140771666
[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 86305893
[4-[2-[3-methoxy-5-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxyphenyl]ethenyl]phenyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
CID 123230166
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91744795

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate?
The IUPAC name of [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate (CID 155042421) is [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate?
The canonical SMILES for [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate is COc1cc(/C=C/c2ccc(OC(C)=O)cc2)cc(OC(C)=O)c1.
What is the InChIKey of [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate?
The InChIKey is ICSCWPFKCKLVMM-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H18O5/c1-13(20)23-17-8-6-15(7-9-17)4-5-16-10-18(22-3)12-19(11-16)24-14(2)21/h4-12H,1-3H3/b5-4+.
What are the key properties of [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate?
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate has a molecular weight of 326.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate is sourced from PubChem (CID 155042421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).