[4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate

C19H21IO4Si — CID 177477597

IUPAC[4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate
SMILESC/C=C\C(=O)Oc1c(I)cc(O[Si](C)(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H21IO4Si/c1-5-9-18(21)23-19-16(20)12-14(13-17(19)22-2)24-25(3,4)15-10-7-6-8-11-15/h5-13H,1-4H3/b9-5-
InChIKeyDPYZAICZRCREHD-UITAMQMPSA-N
MW468.36 g/mol
LogP4.27
Rot. Bonds6

About [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate

[4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate (PubChem CID 177477597) has the molecular formula C19H21IO4Si and a molecular weight of 468.36 g/mol. Its IUPAC name is [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate.

Molecular Properties

Compound Name[4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate
PubChem CID177477597
Molecular FormulaC19H21IO4Si
Molecular Weight468.36 g/mol
Exact Mass468.03
IUPAC Name[4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate
SMILESC/C=C\C(=O)Oc1c(I)cc(O[Si](C)(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H21IO4Si/c1-5-9-18(21)23-19-16(20)12-14(13-17(19)22-2)24-25(3,4)15-10-7-6-8-11-15/h5-13H,1-4H3/b9-5-
InChIKeyDPYZAICZRCREHD-UITAMQMPSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate with MolForge

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Related Compounds

(3,4,5-trimethoxyphenyl) 3-phenylprop-2-enoate
CID 71323634
[phenyl-di(propan-2-yl)silyl] but-2-enoate
CID 175274232
[3-methoxy-4-(3-phenylprop-2-enoyloxy)phenyl] 3-phenylprop-2-enoate
CID 123758297
3-[methyl(diphenyl)silyl]propyl but-2-enoate
CID 69118200
[2-iodo-6-methoxy-4-[(Z)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methylbenzoate
CID 19665730
[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate
CID 46834834
(3,4-dichlorophenyl) (E)-but-2-enoate
CID 12664415
[dimethyl(phenyl)silyl] (E)-2-methylbut-2-enoate
CID 70446918
[2-[(E)-2-(4-acetyloxy-3-iodo-5-methoxyphenyl)ethenyl]quinolin-4-yl] acetate
CID 26366882
(4-formyl-2-iodo-6-methoxyphenyl) 2-chlorobenzoate
CID 4766801
[3-iodo-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 144703857
ethane;phenyl (2E,4E,5Z)-4-ethylidenehepta-2,5-dienoate
CID 142315513

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate?
The IUPAC name of [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate (CID 177477597) is [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate.
What is the SMILES notation for [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate?
The canonical SMILES for [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate is C/C=C\C(=O)Oc1c(I)cc(O[Si](C)(C)c2ccccc2)cc1OC.
What is the InChIKey of [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate?
The InChIKey is DPYZAICZRCREHD-UITAMQMPSA-N. The full InChI is InChI=1S/C19H21IO4Si/c1-5-9-18(21)23-19-16(20)12-14(13-17(19)22-2)24-25(3,4)15-10-7-6-8-11-15/h5-13H,1-4H3/b9-5-.
What are the key properties of [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate?
[4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate has a molecular weight of 468.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(phenyl)silyl]oxy-2-iodo-6-methoxyphenyl] (Z)-but-2-enoate is sourced from PubChem (CID 177477597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).