ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate

C14H16O5 — CID 169481017

IUPACethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1c(OC)cc(C=O)cc1OC
InChIInChI=1S/C14H16O5/c1-4-19-14(16)6-5-11-12(17-2)7-10(9-15)8-13(11)18-3/h5-9H,4H2,1-3H3
InChIKeyDMADSKNNWBAJOJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.09
Rot. Bonds6

About ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate

ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate (PubChem CID 169481017) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate
PubChem CID169481017
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1c(OC)cc(C=O)cc1OC
InChIInChI=1S/C14H16O5/c1-4-19-14(16)6-5-11-12(17-2)7-10(9-15)8-13(11)18-3/h5-9H,4H2,1-3H3
InChIKeyDMADSKNNWBAJOJ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate
CID 86662889
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate
CID 59859875
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
2-[4-(3-ethoxy-3-oxoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169481023
4-(3-ethoxy-3-oxoprop-1-enyl)-2-methoxybenzoic acid
CID 169480785
ethyl 3-[3,5-dimethoxy-4-(trifluoromethylsulfonyloxy)phenyl]prop-2-enoate
CID 91205025
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
ethyl 3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoate
CID 76571776

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate (CID 169481017) is ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate is CCOC(=O)C=Cc1c(OC)cc(C=O)cc1OC.
What is the InChIKey of ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate?
The InChIKey is DMADSKNNWBAJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-4-19-14(16)6-5-11-12(17-2)7-10(9-15)8-13(11)18-3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate?
ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 169481017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).