ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate

C14H18O4 — CID 10955965

IUPACethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/c1cc(OC)ccc1OC
InChIInChI=1S/C14H18O4/c1-5-18-14(15)10(2)8-11-9-12(16-3)6-7-13(11)17-4/h6-9H,5H2,1-4H3/b10-8+
InChIKeyIKJRIAQBWUKLGT-CSKARUKUSA-N
MW250.29 g/mol
LogP2.67
Rot. Bonds5

About ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate

ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate (PubChem CID 10955965) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
PubChem CID10955965
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/c1cc(OC)ccc1OC
InChIInChI=1S/C14H18O4/c1-5-18-14(15)10(2)8-11-9-12(16-3)6-7-13(11)17-4/h6-9H,5H2,1-4H3/b10-8+
InChIKeyIKJRIAQBWUKLGT-CSKARUKUSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.67
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

ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
diethyl 2-[(2-bromo-5-methoxyphenyl)methylidene]propanedioate
CID 59837570
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 67318536
(E)-1-(4-amino-3-ethoxyphenyl)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 87978479
ethyl (Z)-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-enoate
CID 104503660
1,4-dimethoxy-2-[(E)-2-nitrobut-1-enyl]benzene
CID 55016919
(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
CID 82254507
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
4-(5-methoxy-2-methylphenyl)-3-methylbut-3-en-2-one
CID 91563574
ethyl 3-(3-amino-4-hydroxy-5-methoxyphenyl)-2-methylprop-2-enoate
CID 70541669
diethyl 2-[[2,5-di(propan-2-yloxy)phenyl]methylidene]propanedioate
CID 70577906
ethyl 2-azido-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 141488790

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate (CID 10955965) is ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate is CCOC(=O)/C(C)=C/c1cc(OC)ccc1OC.
What is the InChIKey of ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate?
The InChIKey is IKJRIAQBWUKLGT-CSKARUKUSA-N. The full InChI is InChI=1S/C14H18O4/c1-5-18-14(15)10(2)8-11-9-12(16-3)6-7-13(11)17-4/h6-9H,5H2,1-4H3/b10-8+.
What are the key properties of ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate?
ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 10955965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).