(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one

C26H24O6 — CID 10550673

IUPAC(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one
SMILESCOc1ccc(/C=C2/COc3c(ccc(OC)c3OCc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C26H24O6/c1-28-21-11-9-18(14-23(21)30-3)13-19-16-32-25-20(24(19)27)10-12-22(29-2)26(25)31-15-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3/b19-13-
InChIKeyWTZAFUQBTPGBOY-UYRXBGFRSA-N
MW432.47 g/mol
LogP4.95
Rot. Bonds7

About (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one (PubChem CID 10550673) has the molecular formula C26H24O6 and a molecular weight of 432.47 g/mol. Its IUPAC name is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one
PubChem CID10550673
Molecular FormulaC26H24O6
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one
SMILESCOc1ccc(/C=C2/COc3c(ccc(OC)c3OCc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C26H24O6/c1-28-21-11-9-18(14-23(21)30-3)13-19-16-32-25-20(24(19)27)10-12-22(29-2)26(25)31-15-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3/b19-13-
InChIKeyWTZAFUQBTPGBOY-UYRXBGFRSA-N
XLogP4.95
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
CID 6857791
6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one
CID 86192191
(3E)-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]chromen-4-one
CID 8861986
2-[4-[(Z)-(6,8-dimethyl-4-oxochromen-3-ylidene)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 95041743
3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 3130452
(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823547
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
(E)-1-[2,4-dimethoxy-3,6-bis(phenylmethoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 10816288
3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-phenylpiperidin-4-one
CID 155654046
2-(4-oxo-8-phenylmethoxychromen-3-ylidene)acetic acid
CID 139756012

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one?
The IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one (CID 10550673) is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one.
What is the SMILES notation for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one?
The canonical SMILES for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one is COc1ccc(/C=C2/COc3c(ccc(OC)c3OCc3ccccc3)C2=O)cc1OC.
What is the InChIKey of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one?
The InChIKey is WTZAFUQBTPGBOY-UYRXBGFRSA-N. The full InChI is InChI=1S/C26H24O6/c1-28-21-11-9-18(14-23(21)30-3)13-19-16-32-25-20(24(19)27)10-12-22(29-2)26(25)31-15-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3/b19-13-.
What are the key properties of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one?
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one has a molecular weight of 432.47 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one is sourced from PubChem (CID 10550673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).