(6-methyl-2,3-diphenylphenyl) prop-2-enoate

C22H18O2 — CID 174611973

IUPAC(6-methyl-2,3-diphenylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(C)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18O2/c1-3-20(23)24-22-16(2)14-15-19(17-10-6-4-7-11-17)21(22)18-12-8-5-9-13-18/h3-15H,1H2,2H3
InChIKeyUIXDVEFPLVLDKT-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.42
Rot. Bonds4

About (6-methyl-2,3-diphenylphenyl) prop-2-enoate

(6-methyl-2,3-diphenylphenyl) prop-2-enoate (PubChem CID 174611973) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (6-methyl-2,3-diphenylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(6-methyl-2,3-diphenylphenyl) prop-2-enoate
PubChem CID174611973
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(6-methyl-2,3-diphenylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(C)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18O2/c1-3-20(23)24-22-16(2)14-15-19(17-10-6-4-7-11-17)21(22)18-12-8-5-9-13-18/h3-15H,1H2,2H3
InChIKeyUIXDVEFPLVLDKT-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.42
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

(3-hydroxy-4-phenylphenyl) prop-2-enoate
CID 175065018
(2-formyl-6-methylphenyl) prop-2-enoate
CID 89358403
[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141213941
azane;(2-ethyl-3-methyl-4-phenylphenyl) prop-2-enoate;hydrochloride
CID 174661584
[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 141237345
phenyl prop-2-enoate;triphenylene
CID 159225619
[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate
CID 174664238
[3-benzoyl-2-(ethylamino)-6-methylphenyl] prop-2-enoate
CID 174659886
(2-methyl-6-propylphenyl) prop-2-enoate
CID 141217583
[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate
CID 118402998
(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate
CID 164546423
prop-2-enoyl prop-2-enoate;toluene
CID 159749457

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-diphenylphenyl) prop-2-enoate?
The IUPAC name of (6-methyl-2,3-diphenylphenyl) prop-2-enoate (CID 174611973) is (6-methyl-2,3-diphenylphenyl) prop-2-enoate.
What is the SMILES notation for (6-methyl-2,3-diphenylphenyl) prop-2-enoate?
The canonical SMILES for (6-methyl-2,3-diphenylphenyl) prop-2-enoate is C=CC(=O)Oc1c(C)ccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (6-methyl-2,3-diphenylphenyl) prop-2-enoate?
The InChIKey is UIXDVEFPLVLDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-3-20(23)24-22-16(2)14-15-19(17-10-6-4-7-11-17)21(22)18-12-8-5-9-13-18/h3-15H,1H2,2H3.
What are the key properties of (6-methyl-2,3-diphenylphenyl) prop-2-enoate?
(6-methyl-2,3-diphenylphenyl) prop-2-enoate has a molecular weight of 314.38 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-diphenylphenyl) prop-2-enoate is sourced from PubChem (CID 174611973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).