[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate

C25H30O2 — CID 159247460

IUPAC[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate
SMILESCC(C)Cc1ccc(/C=C/c2ccc(/C=C/COC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C25H30O2/c1-19(2)18-24-15-13-23(14-16-24)12-11-22-9-7-21(8-10-22)6-5-17-27-25(26)20(3)4/h5-16,19-20H,17-18H2,1-4H3/b6-5+,12-11+
InChIKeyKUWATXDWZPOHNB-HDZHTHRUSA-N
MW362.51 g/mol
LogP6.27
Rot. Bonds8

About [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate

[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate (PubChem CID 159247460) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate
PubChem CID159247460
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate
SMILESCC(C)Cc1ccc(/C=C/c2ccc(/C=C/COC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C25H30O2/c1-19(2)18-24-15-13-23(14-16-24)12-11-22-9-7-21(8-10-22)6-5-17-27-25(26)20(3)4/h5-16,19-20H,17-18H2,1-4H3/b6-5+,12-11+
InChIKeyKUWATXDWZPOHNB-HDZHTHRUSA-N
XLogP6.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.27
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

[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate
CID 118260411
4-[4-(2-methylpropyl)phenyl]but-3-enal
CID 170482081
methyl 3-[4-(2-methylpropyl)phenyl]prop-2-enoate
CID 139892632
[(E)-3-(3-chlorophenyl)prop-2-enyl] 2-methylpropanoate
CID 168834310
(E)-1-[4-(2-methylpropyl)phenyl]-3-[4-[(E)-3-[4-(2-methylpropyl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 21040458
1-(2-methylpropyl)-4-[(Z)-prop-1-enyl]benzene
CID 142899805
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene
CID 139796540
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxopentanoate
CID 11086061
[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate
CID 23630652
2-phenoxyethyl 2-methylpropanoate;3-phenylprop-2-enyl acetate
CID 160865157

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate?
The IUPAC name of [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate (CID 159247460) is [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate.
What is the SMILES notation for [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate?
The canonical SMILES for [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate is CC(C)Cc1ccc(/C=C/c2ccc(/C=C/COC(=O)C(C)C)cc2)cc1.
What is the InChIKey of [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate?
The InChIKey is KUWATXDWZPOHNB-HDZHTHRUSA-N. The full InChI is InChI=1S/C25H30O2/c1-19(2)18-24-15-13-23(14-16-24)12-11-22-9-7-21(8-10-22)6-5-17-27-25(26)20(3)4/h5-16,19-20H,17-18H2,1-4H3/b6-5+,12-11+.
What are the key properties of [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate?
[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate has a molecular weight of 362.51 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate is sourced from PubChem (CID 159247460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).