[(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate

C18H17IO4 — CID 56652200

IUPAC[(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate
SMILESCOc1ccc(/C(OC(C)=O)=C(/I)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H17IO4/c1-12(20)23-18(13-7-9-15(21-2)10-8-13)17(19)14-5-4-6-16(11-14)22-3/h4-11H,1-3H3/b18-17-
InChIKeyYDUZDFLDTYWVJR-ZCXUNETKSA-N
MW424.23 g/mol
LogP4.53
Rot. Bonds5

About [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate

[(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate (PubChem CID 56652200) has the molecular formula C18H17IO4 and a molecular weight of 424.23 g/mol. Its IUPAC name is [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate.

Molecular Properties

Compound Name[(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate
PubChem CID56652200
Molecular FormulaC18H17IO4
Molecular Weight424.23 g/mol
Exact Mass424.02
IUPAC Name[(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate
SMILESCOc1ccc(/C(OC(C)=O)=C(/I)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H17IO4/c1-12(20)23-18(13-7-9-15(21-2)10-8-13)17(19)14-5-4-6-16(11-14)22-3/h4-11H,1-3H3/b18-17-
InChIKeyYDUZDFLDTYWVJR-ZCXUNETKSA-N
XLogP4.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.23
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
2,3-dibromo-1-(3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 173032917
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64635946
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440
(Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one
CID 70984865
CID 100987171
CID 100987171

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate?
The IUPAC name of [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate (CID 56652200) is [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate.
What is the SMILES notation for [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate?
The canonical SMILES for [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate is COc1ccc(/C(OC(C)=O)=C(/I)c2cccc(OC)c2)cc1.
What is the InChIKey of [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate?
The InChIKey is YDUZDFLDTYWVJR-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H17IO4/c1-12(20)23-18(13-7-9-15(21-2)10-8-13)17(19)14-5-4-6-16(11-14)22-3/h4-11H,1-3H3/b18-17-.
What are the key properties of [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate?
[(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate has a molecular weight of 424.23 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-iodo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethenyl] acetate is sourced from PubChem (CID 56652200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).