(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate

C16H20O4 — CID 162967037

IUPAC(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate
SMILESCC=Cc1cc(OC)c(OC(=O)C(C)=CC)c(OC)c1
InChIInChI=1S/C16H20O4/c1-6-8-12-9-13(18-4)15(14(10-12)19-5)20-16(17)11(3)7-2/h6-10H,1-5H3
InChIKeyWGPUUNUYCNVGDM-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.61
Rot. Bonds5

About (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate

(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate (PubChem CID 162967037) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate.

Molecular Properties

Compound Name(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate
PubChem CID162967037
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate
SMILESCC=Cc1cc(OC)c(OC(=O)C(C)=CC)c(OC)c1
InChIInChI=1S/C16H20O4/c1-6-8-12-9-13(18-4)15(14(10-12)19-5)20-16(17)11(3)7-2/h6-10H,1-5H3
InChIKeyWGPUUNUYCNVGDM-UHFFFAOYSA-N
XLogP3.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate
CID 46918723
methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 72738902
2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
CID 84819506
[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate
CID 21160693
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 152820667
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
[4-[(E)-3,5-dioxohex-1-enyl]-2,6-dimethoxyphenyl] acetate
CID 134156123
[2,6-dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl] 2-methylbut-2-enoate
CID 74819261
[4-[6-[3,5-dimethoxy-4-(2-methylbut-2-enoyloxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenyl] 2-methylbut-2-enoate
CID 162857565
(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
CID 162960084
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate?
The IUPAC name of (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate (CID 162967037) is (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate.
What is the SMILES notation for (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate?
The canonical SMILES for (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate is CC=Cc1cc(OC)c(OC(=O)C(C)=CC)c(OC)c1.
What is the InChIKey of (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate?
The InChIKey is WGPUUNUYCNVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-6-8-12-9-13(18-4)15(14(10-12)19-5)20-16(17)11(3)7-2/h6-10H,1-5H3.
What are the key properties of (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate?
(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate is sourced from PubChem (CID 162967037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).