methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate

C14H18O4 — CID 116843292

IUPACmethyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C14H18O4/c1-8-9(2)13(17-5)11(7-12(8)16-4)10(3)14(15)18-6/h7H,3H2,1-2,4-6H3
InChIKeyWSDDTUGZZOMHPN-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.51
Rot. Bonds4

About methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate

methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate (PubChem CID 116843292) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate
PubChem CID116843292
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C14H18O4/c1-8-9(2)13(17-5)11(7-12(8)16-4)10(3)14(15)18-6/h7H,3H2,1-2,4-6H3
InChIKeyWSDDTUGZZOMHPN-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-methoxy-2,5-dimethylphenyl)prop-2-enoate
CID 116843208
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-sulfanylethanone
CID 116829944
methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate
CID 116843206
methyl 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)prop-2-enoate
CID 116843289
4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 116916071
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
CID 115175414
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
3,5-dimethoxy-4-methyl-2-nitrobenzoyl chloride
CID 22046727
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride
CID 50883137

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate?
The IUPAC name of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate (CID 116843292) is methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate?
The canonical SMILES for methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate is C=C(C(=O)OC)c1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate?
The InChIKey is WSDDTUGZZOMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-8-9(2)13(17-5)11(7-12(8)16-4)10(3)14(15)18-6/h7H,3H2,1-2,4-6H3.
What are the key properties of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate?
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate is sourced from PubChem (CID 116843292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).