(2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one

C18H18O2 — CID 19557375

IUPAC(2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one
SMILESCC(C)c1ccc(C(=O)/C=C/C=C/c2ccco2)cc1
InChIInChI=1S/C18H18O2/c1-14(2)15-9-11-16(12-10-15)18(19)8-4-3-6-17-7-5-13-20-17/h3-14H,1-2H3/b6-3+,8-4+
InChIKeyRDPPOCVSFOBARC-PHQNLGIASA-N
MW266.34 g/mol
LogP4.86
Rot. Bonds5

About (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one

(2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one (PubChem CID 19557375) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one
PubChem CID19557375
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one
SMILESCC(C)c1ccc(C(=O)/C=C/C=C/c2ccco2)cc1
InChIInChI=1S/C18H18O2/c1-14(2)15-9-11-16(12-10-15)18(19)8-4-3-6-17-7-5-13-20-17/h3-14H,1-2H3/b6-3+,8-4+
InChIKeyRDPPOCVSFOBARC-PHQNLGIASA-N
XLogP4.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153
2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan
CID 100992434
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
(E)-3-(furan-2-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842503
sodium 5-(furan-2-yl)penta-2,4-dienoate
CID 88822345
1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5219870
(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
CID 5376055
(E)-3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557389
(E)-1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 39440500
(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557241
lithium;butane;5-(furan-2-yl)penta-2,4-dienoic acid
CID 173216001
(2-bromo-4-propan-2-ylphenyl) 3-(furan-2-yl)prop-2-enoate
CID 3310676

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one (CID 19557375) is (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one is CC(C)c1ccc(C(=O)/C=C/C=C/c2ccco2)cc1.
What is the InChIKey of (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one?
The InChIKey is RDPPOCVSFOBARC-PHQNLGIASA-N. The full InChI is InChI=1S/C18H18O2/c1-14(2)15-9-11-16(12-10-15)18(19)8-4-3-6-17-7-5-13-20-17/h3-14H,1-2H3/b6-3+,8-4+.
What are the key properties of (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one?
(2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 19557375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).