4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione

C20H16O4 — CID 21480180

IUPAC4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione
SMILESCOc1ccc(C2=C(O)C(=O)C(/C=C/c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H16O4/c1-24-15-10-8-14(9-11-15)17-18(21)16(19(22)20(17)23)12-7-13-5-3-2-4-6-13/h2-12,16,23H,1H3/b12-7+
InChIKeyYVYFKXVMMMUONI-KPKJPENVSA-N
MW320.34 g/mol
LogP3.45
Rot. Bonds4

About 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione

4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione (PubChem CID 21480180) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione
PubChem CID21480180
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione
SMILESCOc1ccc(C2=C(O)C(=O)C(/C=C/c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H16O4/c1-24-15-10-8-14(9-11-15)17-18(21)16(19(22)20(17)23)12-7-13-5-3-2-4-6-13/h2-12,16,23H,1H3/b12-7+
InChIKeyYVYFKXVMMMUONI-KPKJPENVSA-N
XLogP3.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
(2Z)-2-benzylidene-5-ethylsulfanyl-4-(4-methoxyphenyl)thiophen-3-one
CID 154712958
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(2S)-4-hydroxy-1-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 1112545
2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 139590812
3-methoxy-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 14738029
(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
2-(4-methoxyphenyl)-6-(2-phenylethenyl)cyclohexa-2,5-diene-1,4-dione
CID 91561910
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfonylethanamine;2-[(E)-3-phenylprop-2-enyl]sulfonylethanamine
CID 158375132
tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane
CID 102056330

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione?
The IUPAC name of 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione (CID 21480180) is 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione?
The canonical SMILES for 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione is COc1ccc(C2=C(O)C(=O)C(/C=C/c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione?
The InChIKey is YVYFKXVMMMUONI-KPKJPENVSA-N. The full InChI is InChI=1S/C20H16O4/c1-24-15-10-8-14(9-11-15)17-18(21)16(19(22)20(17)23)12-7-13-5-3-2-4-6-13/h2-12,16,23H,1H3/b12-7+.
What are the key properties of 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione?
4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione has a molecular weight of 320.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 21480180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).