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

C15H20O2 — CID 118260411

IUPAC[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H20O2/c1-12(2)11-15-8-6-14(7-9-15)5-4-10-17-13(3)16/h4-9,12H,10-11H2,1-3H3/b5-4+
InChIKeyCMTHZXJUGSCXQE-SNAWJCMRSA-N
MW232.32 g/mol
LogP3.46
Rot. Bonds5

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

[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate (PubChem CID 118260411) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate
PubChem CID118260411
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H20O2/c1-12(2)11-15-8-6-14(7-9-15)5-4-10-17-13(3)16/h4-9,12H,10-11H2,1-3H3/b5-4+
InChIKeyCMTHZXJUGSCXQE-SNAWJCMRSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate
CID 159247460
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
ethane;[(E)-3-[4-(methylamino)phenyl]prop-2-enyl] acetate
CID 143755056
[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate
CID 91998712
4-[4-(2-methylpropyl)phenyl]but-3-enal
CID 170482081
methyl 3-[4-(2-methylpropyl)phenyl]prop-2-enoate
CID 139892632
[(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enyl] acetate
CID 10611366
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
2-[4-(2-methylpropyl)phenyl]propyl acetate
CID 12905360
(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

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate?
The IUPAC name of [(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate (CID 118260411) is [(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate is CC(=O)OC/C=C/c1ccc(CC(C)C)cc1.
What is the InChIKey of [(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate?
The InChIKey is CMTHZXJUGSCXQE-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H20O2/c1-12(2)11-15-8-6-14(7-9-15)5-4-10-17-13(3)16/h4-9,12H,10-11H2,1-3H3/b5-4+.
What are the key properties of [(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate?
[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate has a molecular weight of 232.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate is sourced from PubChem (CID 118260411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).