(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate

C19H20O2 — CID 917922

IUPAC(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H20O2/c1-14(2)17-6-4-5-7-18(17)21-19(20)13-12-16-10-8-15(3)9-11-16/h4-14H,1-3H3/b13-12+
InChIKeyOKGGFOLGUHZOJA-OUKQBFOZSA-N
MW280.37 g/mol
LogP4.74
Rot. Bonds4

About (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate

(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate (PubChem CID 917922) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
PubChem CID917922
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H20O2/c1-14(2)17-6-4-5-7-18(17)21-19(20)13-12-16-10-8-15(3)9-11-16/h4-14H,1-3H3/b13-12+
InChIKeyOKGGFOLGUHZOJA-OUKQBFOZSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 19177201
(2-cyclopropylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 153354225
(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 918034
ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
(4-bromo-5-methyl-2-propan-2-ylphenyl) (E)-3-phenylprop-2-enoate
CID 6125282
[2-[1-acetyloxy-3-(4-methylphenyl)prop-2-enyl]phenyl] acetate
CID 123697769
[2-[3-(4-methylphenyl)prop-2-enoyl]phenyl] acetate
CID 2795085
(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
CID 19220587
(2-methylphenyl) 3-(4-ethoxyphenyl)prop-2-enoate
CID 731126
(2,3,4,5,6-pentafluorophenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 87281040
benzhydryl (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187389

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate (CID 917922) is (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate is Cc1ccc(/C=C/C(=O)Oc2ccccc2C(C)C)cc1.
What is the InChIKey of (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is OKGGFOLGUHZOJA-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H20O2/c1-14(2)17-6-4-5-7-18(17)21-19(20)13-12-16-10-8-15(3)9-11-16/h4-14H,1-3H3/b13-12+.
What are the key properties of (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate?
(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 917922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).