phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate

C17H16O2 — CID 174899385

IUPACphenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
SMILESCC(=Cc1ccc(C)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H16O2/c1-13-8-10-15(11-9-13)12-14(2)17(18)19-16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyGAJMMYVNNKAOMQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.00
Rot. Bonds3

About phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate

phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate (PubChem CID 174899385) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Namephenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
PubChem CID174899385
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namephenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
SMILESCC(=Cc1ccc(C)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H16O2/c1-13-8-10-15(11-9-13)12-14(2)17(18)19-16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyGAJMMYVNNKAOMQ-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.00
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

1,4-bis(ethenyl)benzene;ethyl 2-(4-methylphenyl)prop-2-enoate;phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate;bis(prop-2-enoic acid)
CID 174899384
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
(4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate
CID 145084883
diphenyl oxalate;ethane
CID 162013592
phenyl 2-methyl-4-phenylbut-2-enoate
CID 174690725
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate
CID 73426848
(E)-3-methyl-4-(4-phenylphenyl)but-3-en-2-one
CID 6040789
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl]-diphenylsulfanium
CID 167388328
phenyl 2,3-dioxobutanoate
CID 125499632
3-(4-carbamoyloxyphenyl)-2-methylprop-2-enoic acid
CID 123813145
[(Z)-1-(4-methylphenyl)-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132576918
ethyl 2-phenoxy-3-phenylprop-2-enoate
CID 72829048

Frequently Asked Questions

What is the IUPAC name of phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate (CID 174899385) is phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate is CC(=Cc1ccc(C)cc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is GAJMMYVNNKAOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-13-8-10-15(11-9-13)12-14(2)17(18)19-16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate?
phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 174899385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).