methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate

C14H16O5 — CID 146922044

IUPACmethyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate
SMILESCOC(=O)/C=C\C(=O)Cc1c(OC)cccc1OC
InChIInChI=1S/C14H16O5/c1-17-12-5-4-6-13(18-2)11(12)9-10(15)7-8-14(16)19-3/h4-8H,9H2,1-3H3/b8-7-
InChIKeyADJKCLDESOVVNJ-FPLPWBNLSA-N
MW264.28 g/mol
LogP1.54
Rot. Bonds6

About methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate

methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate (PubChem CID 146922044) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate
PubChem CID146922044
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate
SMILESCOC(=O)/C=C\C(=O)Cc1c(OC)cccc1OC
InChIInChI=1S/C14H16O5/c1-17-12-5-4-6-13(18-2)11(12)9-10(15)7-8-14(16)19-3/h4-8H,9H2,1-3H3/b8-7-
InChIKeyADJKCLDESOVVNJ-FPLPWBNLSA-N
XLogP1.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[2-(hydroxymethyl)-6-methoxyphenyl]prop-2-enoate
CID 19598060
methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate
CID 116811030
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837
3-[[2-(2,6-dimethoxyphenyl)acetyl]-methylamino]propanoic acid
CID 119362723
methyl (E)-3-(2-chloro-6-methoxyphenyl)prop-2-enoate
CID 13045462
2-(2-hydrazinyl-6-methoxyphenyl)acetic acid
CID 131028990
2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide
CID 119502745
2,6-dimethoxybenzohydrazide
CID 2806104
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
4-O-[3-(2-methoxyphenoxy)-2-methyl-3-oxopropyl] 1-O-methyl (E)-but-2-enedioate
CID 69127135

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate?
The IUPAC name of methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate (CID 146922044) is methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate.
What is the SMILES notation for methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate?
The canonical SMILES for methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate is COC(=O)/C=C\C(=O)Cc1c(OC)cccc1OC.
What is the InChIKey of methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate?
The InChIKey is ADJKCLDESOVVNJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H16O5/c1-17-12-5-4-6-13(18-2)11(12)9-10(15)7-8-14(16)19-3/h4-8H,9H2,1-3H3/b8-7-.
What are the key properties of methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate?
methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate is sourced from PubChem (CID 146922044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).