cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate

C21H22O2 — CID 88841794

IUPACcyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate
SMILESC1CC1.COC(=O)C=CC=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16O2.C3H6/c1-20-18(19)10-6-5-7-15-11-13-17(14-12-15)16-8-3-2-4-9-16;1-2-3-1/h2-14H,1H3;1-3H2
InChIKeyVYCKLTNLCVRZDW-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.27
Rot. Bonds4

About cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate

cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate (PubChem CID 88841794) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate.

Molecular Properties

Compound Namecyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate
PubChem CID88841794
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Namecyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate
SMILESC1CC1.COC(=O)C=CC=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16O2.C3H6/c1-20-18(19)10-6-5-7-15-11-13-17(14-12-15)16-8-3-2-4-9-16;1-2-3-1/h2-14H,1H3;1-3H2
InChIKeyVYCKLTNLCVRZDW-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.27
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

methyl 3-[4-[4-(3-methoxy-3-oxoprop-1-enyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]prop-2-enoate
CID 76777420
methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate
CID 115024471
methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
CID 92525134
furan-2,5-dione;methyl 5-phenylpenta-2,4-dienoate
CID 157407947
cyclopropylmethyl 5-(4-phenylphenyl)penta-2,4-dienoate
CID 173461452
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
methyl (2E,4E,6E,8E)-9-phenyl-6-trimethylsilylnona-2,4,6,8-tetraenoate
CID 177492628
methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate
CID 115023302
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
methyl (E)-3-[4-[N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)anilino]phenyl]prop-2-enoate
CID 58403190
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
CID 42631047

Frequently Asked Questions

What is the IUPAC name of cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate?
The IUPAC name of cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate (CID 88841794) is cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate.
What is the SMILES notation for cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate?
The canonical SMILES for cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate is C1CC1.COC(=O)C=CC=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate?
The InChIKey is VYCKLTNLCVRZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2.C3H6/c1-20-18(19)10-6-5-7-15-11-13-17(14-12-15)16-8-3-2-4-9-16;1-2-3-1/h2-14H,1H3;1-3H2.
What are the key properties of cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate?
cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate has a molecular weight of 306.41 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;methyl 5-(4-phenylphenyl)penta-2,4-dienoate is sourced from PubChem (CID 88841794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).