methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate

C29H30O2 — CID 158843273

IUPACmethyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate
SMILESCOC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc(C2CCC2)cc1)c1ccccc1
InChIInChI=1S/C29H30O2/c1-21-11-13-25(14-12-21)29(26-17-15-23(16-18-26)22-9-6-10-22)27(19-20-28(30)31-2)24-7-4-3-5-8-24/h3-5,7-8,11-18,22H,6,9-10,19-20H2,1-2H3/b29-27-
InChIKeyJDNWAEXBBYQXOL-OHYPFYFLSA-N
MW410.56 g/mol
LogP7.17
Rot. Bonds7

About methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate

methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate (PubChem CID 158843273) has the molecular formula C29H30O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate
PubChem CID158843273
Molecular FormulaC29H30O2
Molecular Weight410.56 g/mol
Exact Mass410.22
IUPAC Namemethyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate
SMILESCOC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc(C2CCC2)cc1)c1ccccc1
InChIInChI=1S/C29H30O2/c1-21-11-13-25(14-12-21)29(26-17-15-23(16-18-26)22-9-6-10-22)27(19-20-28(30)31-2)24-7-4-3-5-8-24/h3-5,7-8,11-18,22H,6,9-10,19-20H2,1-2H3/b29-27-
InChIKeyJDNWAEXBBYQXOL-OHYPFYFLSA-N
XLogP7.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate
CID 158843272
methyl 5-(4-cyclobutylphenyl)-4-oxopentanoate
CID 116506694
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
methyl 2-[2-(4-methylphenyl)cycloheptyl]acetate
CID 82245970
methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate
CID 101026694
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
CID 60547206
tert-butyl 5-[(Z)-5-methoxy-1-(4-methylphenyl)-5-oxo-2-phenylpent-1-enyl]indole-1-carboxylate;methane;methyl (Z)-5-(1H-indol-5-yl)-5-(4-methylphenyl)-4-phenylpent-4-enoate
CID 158441331
methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate
CID 114605935

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate?
The IUPAC name of methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate (CID 158843273) is methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate.
What is the SMILES notation for methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate?
The canonical SMILES for methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate is COC(=O)CC/C(=C(\c1ccc(C)cc1)c1ccc(C2CCC2)cc1)c1ccccc1.
What is the InChIKey of methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate?
The InChIKey is JDNWAEXBBYQXOL-OHYPFYFLSA-N. The full InChI is InChI=1S/C29H30O2/c1-21-11-13-25(14-12-21)29(26-17-15-23(16-18-26)22-9-6-10-22)27(19-20-28(30)31-2)24-7-4-3-5-8-24/h3-5,7-8,11-18,22H,6,9-10,19-20H2,1-2H3/b29-27-.
What are the key properties of methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate?
methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate has a molecular weight of 410.56 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate is sourced from PubChem (CID 158843273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).