(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one

C20H18O5 — CID 58237972

IUPAC(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one
SMILESCOc1cc(/C=C2/C=C(c3ccc(C)cc3OC)OC2=O)ccc1O
InChIInChI=1S/C20H18O5/c1-12-4-6-15(17(8-12)23-2)18-11-14(20(22)25-18)9-13-5-7-16(21)19(10-13)24-3/h4-11,21H,1-3H3/b14-9-
InChIKeySXZWBSRUMMKXJH-ZROIWOOFSA-N
MW338.36 g/mol
LogP3.70
Rot. Bonds4

About (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one

(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one (PubChem CID 58237972) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one
PubChem CID58237972
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one
SMILESCOc1cc(/C=C2/C=C(c3ccc(C)cc3OC)OC2=O)ccc1O
InChIInChI=1S/C20H18O5/c1-12-4-6-15(17(8-12)23-2)18-11-14(20(22)25-18)9-13-5-7-16(21)19(10-13)24-3/h4-11,21H,1-3H3/b14-9-
InChIKeySXZWBSRUMMKXJH-ZROIWOOFSA-N
XLogP3.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one?
The IUPAC name of (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one (CID 58237972) is (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one.
What is the SMILES notation for (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one?
The canonical SMILES for (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one is COc1cc(/C=C2/C=C(c3ccc(C)cc3OC)OC2=O)ccc1O.
What is the InChIKey of (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one?
The InChIKey is SXZWBSRUMMKXJH-ZROIWOOFSA-N. The full InChI is InChI=1S/C20H18O5/c1-12-4-6-15(17(8-12)23-2)18-11-14(20(22)25-18)9-13-5-7-16(21)19(10-13)24-3/h4-11,21H,1-3H3/b14-9-.
What are the key properties of (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one?
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one has a molecular weight of 338.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one is sourced from PubChem (CID 58237972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).