cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate

C21H20O2 — CID 173461452

IUPACcyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate
SMILESO=C(C=CC=Cc1ccc(-c2ccccc2)cc1)OCC1CC1
InChIInChI=1S/C21H20O2/c22-21(23-16-18-10-11-18)9-5-4-6-17-12-14-20(15-13-17)19-7-2-1-3-8-19/h1-9,12-15,18H,10-11,16H2
InChIKeyRUOHUIRIWGAUDN-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.88
Rot. Bonds6

About cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate

cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate (PubChem CID 173461452) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate.

Molecular Properties

Compound Namecyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate
PubChem CID173461452
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Namecyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate
SMILESO=C(C=CC=Cc1ccc(-c2ccccc2)cc1)OCC1CC1
InChIInChI=1S/C21H20O2/c22-21(23-16-18-10-11-18)9-5-4-6-17-12-14-20(15-13-17)19-7-2-1-3-8-19/h1-9,12-15,18H,10-11,16H2
InChIKeyRUOHUIRIWGAUDN-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.88
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

cyclopropylmethyl 5-(4-methoxyphenyl)penta-2,4-dienoate
CID 173461822
cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate
CID 88841794
cyclopropylmethyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6232790
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
[4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]oxymethyl]cyclohexyl]methyl 2-methylbutanoate
CID 153307202
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
cyclohexylmethyl (E)-3-(4-aminophenyl)prop-2-enoate
CID 115342526
acetyloxymethyl (2E,4E)-5-phenylpenta-2,4-dienoate
CID 22731468
4-[[4-(3-carboxyprop-2-enoyloxymethyl)cyclohexyl]methoxy]-4-oxobut-2-enoic acid
CID 91371568
3-(4-phenylphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54275232
9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
CID 91551203
(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 92926170

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate?
The IUPAC name of cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate (CID 173461452) is cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate.
What is the SMILES notation for cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate?
The canonical SMILES for cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate is O=C(C=CC=Cc1ccc(-c2ccccc2)cc1)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate?
The InChIKey is RUOHUIRIWGAUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c22-21(23-16-18-10-11-18)9-5-4-6-17-12-14-20(15-13-17)19-7-2-1-3-8-19/h1-9,12-15,18H,10-11,16H2.
What are the key properties of cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate?
cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate has a molecular weight of 304.39 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate is sourced from PubChem (CID 173461452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).