methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate

C22H24O4Si — CID 6613393

IUPACmethyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1cc(C#C[Si](C)(C)C)c(Oc2ccccc2)c(OC)c1
InChIInChI=1S/C22H24O4Si/c1-24-20-16-17(11-12-21(23)25-2)15-18(13-14-27(3,4)5)22(20)26-19-9-7-6-8-10-19/h6-12,15-16H,1-5H3
InChIKeyNOPRGPFAWKEJNC-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.90
Rot. Bonds5

About methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate

methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate (PubChem CID 6613393) has the molecular formula C22H24O4Si and a molecular weight of 380.52 g/mol. Its IUPAC name is methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate
PubChem CID6613393
Molecular FormulaC22H24O4Si
Molecular Weight380.52 g/mol
Exact Mass380.14
IUPAC Namemethyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1cc(C#C[Si](C)(C)C)c(Oc2ccccc2)c(OC)c1
InChIInChI=1S/C22H24O4Si/c1-24-20-16-17(11-12-21(23)25-2)15-18(13-14-27(3,4)5)22(20)26-19-9-7-6-8-10-19/h6-12,15-16H,1-5H3
InChIKeyNOPRGPFAWKEJNC-UHFFFAOYSA-N
XLogP4.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(4-fluoro-3-phenoxyphenyl)prop-2-enoate
CID 19849257
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
methyl (E)-3-[4-(methanesulfonamido)-3-phenoxyphenyl]prop-2-enoate
CID 102048932
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 72738902
3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
CID 172757581
methyl (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 91684947
(3,4,5-trimethoxyphenyl) 3-phenylprop-2-enoate
CID 71323634
methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate
CID 25012454
(2-cyanophenyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 7934976
methyl 3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxybenzoate
CID 7924255
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate (CID 6613393) is methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate is COC(=O)C=Cc1cc(C#C[Si](C)(C)C)c(Oc2ccccc2)c(OC)c1.
What is the InChIKey of methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate?
The InChIKey is NOPRGPFAWKEJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4Si/c1-24-20-16-17(11-12-21(23)25-2)15-18(13-14-27(3,4)5)22(20)26-19-9-7-6-8-10-19/h6-12,15-16H,1-5H3.
What are the key properties of methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate?
methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate has a molecular weight of 380.52 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-methoxy-4-phenoxy-5-(2-trimethylsilylethynyl)phenyl]prop-2-enoate is sourced from PubChem (CID 6613393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).