ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate

C14H16O5 — CID 102264281

IUPACethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\CC(O)c2cccc(OC)c2O1
InChIInChI=1S/C14H16O5/c1-3-18-13(16)8-9-7-11(15)10-5-4-6-12(17-2)14(10)19-9/h4-6,8,11,15H,3,7H2,1-2H3/b9-8+
InChIKeyYEUILGSEHFBNPB-CMDGGOBGSA-N
MW264.28 g/mol
LogP1.96
Rot. Bonds3

About ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate

ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate (PubChem CID 102264281) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate
PubChem CID102264281
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\CC(O)c2cccc(OC)c2O1
InChIInChI=1S/C14H16O5/c1-3-18-13(16)8-9-7-11(15)10-5-4-6-12(17-2)14(10)19-9/h4-6,8,11,15H,3,7H2,1-2H3/b9-8+
InChIKeyYEUILGSEHFBNPB-CMDGGOBGSA-N
XLogP1.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid
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methyl 4-hydroxy-8-methoxy-2-(trifluoromethyl)-4H-chromene-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate (CID 102264281) is ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate is CCOC(=O)/C=C1\CC(O)c2cccc(OC)c2O1.
What is the InChIKey of ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate?
The InChIKey is YEUILGSEHFBNPB-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16O5/c1-3-18-13(16)8-9-7-11(15)10-5-4-6-12(17-2)14(10)19-9/h4-6,8,11,15H,3,7H2,1-2H3/b9-8+.
What are the key properties of ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate?
ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate has a molecular weight of 264.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate is sourced from PubChem (CID 102264281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).