(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate

C14H17IO4 — CID 24874415

IUPAC(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
SMILESCOc1ccc(COC(=O)C/C(C)=C/I)c(OC)c1
InChIInChI=1S/C14H17IO4/c1-10(8-15)6-14(16)19-9-11-4-5-12(17-2)7-13(11)18-3/h4-5,7-8H,6,9H2,1-3H3/b10-8+
InChIKeyYCCHNFFILKSYOS-CSKARUKUSA-N
MW376.19 g/mol
LogP3.48
Rot. Bonds6

About (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate

(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate (PubChem CID 24874415) has the molecular formula C14H17IO4 and a molecular weight of 376.19 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
PubChem CID24874415
Molecular FormulaC14H17IO4
Molecular Weight376.19 g/mol
Exact Mass376.02
IUPAC Name(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
SMILESCOc1ccc(COC(=O)C/C(C)=C/I)c(OC)c1
InChIInChI=1S/C14H17IO4/c1-10(8-15)6-14(16)19-9-11-4-5-12(17-2)7-13(11)18-3/h4-5,7-8H,6,9H2,1-3H3/b10-8+
InChIKeyYCCHNFFILKSYOS-CSKARUKUSA-N
XLogP3.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 166726717
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
(2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 154965261
(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate
CID 57226067
bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
CID 69443369
(2,4-dimethoxyphenyl)methyl 2-methylidene-4-oxohexanoate
CID 167370671
(2,4-dimethoxyphenyl)methylurea
CID 53362457
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate
CID 86687690
(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate
CID 86052866
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate
CID 116851597

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate?
The IUPAC name of (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate (CID 24874415) is (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate is COc1ccc(COC(=O)C/C(C)=C/I)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate?
The InChIKey is YCCHNFFILKSYOS-CSKARUKUSA-N. The full InChI is InChI=1S/C14H17IO4/c1-10(8-15)6-14(16)19-9-11-4-5-12(17-2)7-13(11)18-3/h4-5,7-8H,6,9H2,1-3H3/b10-8+.
What are the key properties of (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate?
(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate has a molecular weight of 376.19 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate is sourced from PubChem (CID 24874415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).