methyl 3-[4-(4-phenylphenyl)phenyl]propanoate

C22H20O2 — CID 69206363

IUPACmethyl 3-[4-(4-phenylphenyl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O2/c1-24-22(23)16-9-17-7-10-19(11-8-17)21-14-12-20(13-15-21)18-5-3-2-4-6-18/h2-8,10-15H,9,16H2,1H3
InChIKeyIVQQNRGMNFMQPD-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.13
Rot. Bonds5

About methyl 3-[4-(4-phenylphenyl)phenyl]propanoate

methyl 3-[4-(4-phenylphenyl)phenyl]propanoate (PubChem CID 69206363) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 3-[4-(4-phenylphenyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-phenylphenyl)phenyl]propanoate
PubChem CID69206363
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Namemethyl 3-[4-(4-phenylphenyl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O2/c1-24-22(23)16-9-17-7-10-19(11-8-17)21-14-12-20(13-15-21)18-5-3-2-4-6-18/h2-8,10-15H,9,16H2,1H3
InChIKeyIVQQNRGMNFMQPD-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 3-[4-[4-[2-[4-[4-(4-hydroxy-3-oxobutyl)-N-(4-phenylphenyl)anilino]phenyl]ethyl]-N-(4-phenylphenyl)anilino]phenyl]propanoate
CID 71277319
N-methoxy-3-(4-phenylphenyl)propanamide
CID 144913609
methyl 3-[4-(3-formylphenyl)phenyl]propanoate
CID 88941399
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
benzamide;methyl 3-phenylpropanoate
CID 154677392
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-phenylphenyl)phenyl]propanoate?
The IUPAC name of methyl 3-[4-(4-phenylphenyl)phenyl]propanoate (CID 69206363) is methyl 3-[4-(4-phenylphenyl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(4-phenylphenyl)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-(4-phenylphenyl)phenyl]propanoate is COC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of methyl 3-[4-(4-phenylphenyl)phenyl]propanoate?
The InChIKey is IVQQNRGMNFMQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-24-22(23)16-9-17-7-10-19(11-8-17)21-14-12-20(13-15-21)18-5-3-2-4-6-18/h2-8,10-15H,9,16H2,1H3.
What are the key properties of methyl 3-[4-(4-phenylphenyl)phenyl]propanoate?
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate has a molecular weight of 316.40 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-phenylphenyl)phenyl]propanoate is sourced from PubChem (CID 69206363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).