ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate

C14H18O5 — CID 142698387

IUPACethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C(OC)=C(OC)c1ccccc1OC
InChIInChI=1S/C14H18O5/c1-5-19-14(15)13(18-4)12(17-3)10-8-6-7-9-11(10)16-2/h6-9H,5H2,1-4H3
InChIKeyKTDLMXFHGIBWKR-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.22
Rot. Bonds6

About ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate

ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 142698387) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID142698387
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C(OC)=C(OC)c1ccccc1OC
InChIInChI=1S/C14H18O5/c1-5-19-14(15)13(18-4)12(17-3)10-8-6-7-9-11(10)16-2/h6-9H,5H2,1-4H3
InChIKeyKTDLMXFHGIBWKR-UHFFFAOYSA-N
XLogP2.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 66973802
CID 66973802
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CID 91602933
ethyl 3-[(2E)-2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate
CID 87585582
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CID 97035566
2-methoxybenzohydrazide
CID 24051
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ethyl 2,2-difluoro-3-(2-methoxyphenyl)-3-oxopropanoate
CID 55071398
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
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CID 178037044

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate (CID 142698387) is ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate is CCOC(=O)C(OC)=C(OC)c1ccccc1OC.
What is the InChIKey of ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is KTDLMXFHGIBWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-5-19-14(15)13(18-4)12(17-3)10-8-6-7-9-11(10)16-2/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate?
ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 266.29 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 142698387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).