(3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one

C23H24O5 — CID 6034938

IUPAC(3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
SMILESCOc1cc(/C=C2/C=C(c3ccc(C(C)C)cc3)OC2=O)cc(OC)c1OC
InChIInChI=1S/C23H24O5/c1-14(2)16-6-8-17(9-7-16)19-13-18(23(24)28-19)10-15-11-20(25-3)22(27-5)21(12-15)26-4/h6-14H,1-5H3/b18-10-
InChIKeyORJJXBZUTTZJGB-ZDLGFXPLSA-N
MW380.44 g/mol
LogP4.82
Rot. Bonds6

About (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one

(3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one (PubChem CID 6034938) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
PubChem CID6034938
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Name(3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
SMILESCOc1cc(/C=C2/C=C(c3ccc(C(C)C)cc3)OC2=O)cc(OC)c1OC
InChIInChI=1S/C23H24O5/c1-14(2)16-6-8-17(9-7-16)19-13-18(23(24)28-19)10-15-11-20(25-3)22(27-5)21(12-15)26-4/h6-14H,1-5H3/b18-10-
InChIKeyORJJXBZUTTZJGB-ZDLGFXPLSA-N
XLogP4.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
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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Related Compounds

3,4,5-Trimethoxycinnamic acid
CID 735755
Yatein
CID 442835
Methyl 3,4,5-trimethoxycinnamate
CID 735846
6,7-Dimethoxy-4-phenylcoumarin
CID 1235191
3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
CID 4485701
3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
CID 10336603
trans-2,3,4-Trimethoxycinnamic acid
CID 735841
1-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene
CID 5388779
Neoflavonoid, 10
CID 10337543
2,3,4,4'-Tetramethoxy-1,1'-biphenyl
CID 165441
(2E,5E)-2,5-bis[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one
CID 2308087
Medioresinol dimethyl ether
CID 169234

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one?
The IUPAC name of (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one (CID 6034938) is (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one?
The canonical SMILES for (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one is COc1cc(/C=C2/C=C(c3ccc(C(C)C)cc3)OC2=O)cc(OC)c1OC.
What is the InChIKey of (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one?
The InChIKey is ORJJXBZUTTZJGB-ZDLGFXPLSA-N. The full InChI is InChI=1S/C23H24O5/c1-14(2)16-6-8-17(9-7-16)19-13-18(23(24)28-19)10-15-11-20(25-3)22(27-5)21(12-15)26-4/h6-14H,1-5H3/b18-10-.
What are the key properties of (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one?
(3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one has a molecular weight of 380.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 6034938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).