(3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one

C19H18O5 — CID 24987392

IUPAC(3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one
SMILESCCOc1ccc2c(c1)OC/C(=C\c1ccc(OC)c(O)c1)C2=O
InChIInChI=1S/C19H18O5/c1-3-23-14-5-6-15-18(10-14)24-11-13(19(15)21)8-12-4-7-17(22-2)16(20)9-12/h4-10,20H,3,11H2,1-2H3/b13-8+
InChIKeyLHYCNMFFRNXXHP-MDWZMJQESA-N
MW326.35 g/mol
LogP3.46
Rot. Bonds4

About (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one

(3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one (PubChem CID 24987392) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one
PubChem CID24987392
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one
SMILESCCOc1ccc2c(c1)OC/C(=C\c1ccc(OC)c(O)c1)C2=O
InChIInChI=1S/C19H18O5/c1-3-23-14-5-6-15-18(10-14)24-11-13(19(15)21)8-12-4-7-17(22-2)16(20)9-12/h4-10,20H,3,11H2,1-2H3/b13-8+
InChIKeyLHYCNMFFRNXXHP-MDWZMJQESA-N
XLogP3.46
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.46
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

(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 24662437
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
CID 6857791
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 31762948
3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 74618182
(3E)-7-ethoxy-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]chromen-4-one;hydrochloride
CID 118734143
(4Z)-7-fluoro-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one
CID 94189241
(3E)-3-[(4-ethoxy-3-methoxyphenyl)methylidene]-5,7-dimethylchromen-4-one
CID 60583195
[4-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxyphenyl] N,N-dimethylcarbamate
CID 7243346
2-[2-ethoxy-4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]-N,N-dimethylacetamide
CID 2697354
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroxychromen-4-one
CID 162679170
(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 9447281

Frequently Asked Questions

What is the IUPAC name of (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one?
The IUPAC name of (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one (CID 24987392) is (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one.
What is the SMILES notation for (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one?
The canonical SMILES for (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one is CCOc1ccc2c(c1)OC/C(=C\c1ccc(OC)c(O)c1)C2=O.
What is the InChIKey of (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one?
The InChIKey is LHYCNMFFRNXXHP-MDWZMJQESA-N. The full InChI is InChI=1S/C19H18O5/c1-3-23-14-5-6-15-18(10-14)24-11-13(19(15)21)8-12-4-7-17(22-2)16(20)9-12/h4-10,20H,3,11H2,1-2H3/b13-8+.
What are the key properties of (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one?
(3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one has a molecular weight of 326.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-ethoxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 24987392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).