diphenyl 2-(3-phenylpropyl)propanedioate

C24H22O4 — CID 141391929

IUPACdiphenyl 2-(3-phenylpropyl)propanedioate
SMILESO=C(Oc1ccccc1)C(CCCc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C24H22O4/c25-23(27-20-14-6-2-7-15-20)22(18-10-13-19-11-4-1-5-12-19)24(26)28-21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2
InChIKeyDJGQGUPUWYKXQT-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.84
Rot. Bonds8

About diphenyl 2-(3-phenylpropyl)propanedioate

diphenyl 2-(3-phenylpropyl)propanedioate (PubChem CID 141391929) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is diphenyl 2-(3-phenylpropyl)propanedioate.

Molecular Properties

Compound Namediphenyl 2-(3-phenylpropyl)propanedioate
PubChem CID141391929
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Namediphenyl 2-(3-phenylpropyl)propanedioate
SMILESO=C(Oc1ccccc1)C(CCCc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C24H22O4/c25-23(27-20-14-6-2-7-15-20)22(18-10-13-19-11-4-1-5-12-19)24(26)28-21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2
InChIKeyDJGQGUPUWYKXQT-UHFFFAOYSA-N
XLogP4.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
ethyl 2-acetyl-5-phenylpentanoate
CID 14921745
2-(8-phenyloctyl)propanedioic acid
CID 20544236
2-phenoxycarbonylpentanoic acid
CID 54073131
phenyl 5-phenylpentanoate
CID 10944973
ethyl 2-benzoyl-5-phenylpentanoate
CID 57081921
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate
CID 122388738
dicyclohexyl 2-(4-phenylbutyl)propanedioate
CID 141391882
ethyl 5-phenyl-2-(2,2,2-trifluoroacetyl)pentanoate
CID 14435905
(2S)-2-amino-5-phenylpentanethioic S-acid
CID 57090129
(2R)-2-azaniumyl-5-phenylpentanoate
CID 6993755

Frequently Asked Questions

What is the IUPAC name of diphenyl 2-(3-phenylpropyl)propanedioate?
The IUPAC name of diphenyl 2-(3-phenylpropyl)propanedioate (CID 141391929) is diphenyl 2-(3-phenylpropyl)propanedioate.
What is the SMILES notation for diphenyl 2-(3-phenylpropyl)propanedioate?
The canonical SMILES for diphenyl 2-(3-phenylpropyl)propanedioate is O=C(Oc1ccccc1)C(CCCc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of diphenyl 2-(3-phenylpropyl)propanedioate?
The InChIKey is DJGQGUPUWYKXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c25-23(27-20-14-6-2-7-15-20)22(18-10-13-19-11-4-1-5-12-19)24(26)28-21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2.
What are the key properties of diphenyl 2-(3-phenylpropyl)propanedioate?
diphenyl 2-(3-phenylpropyl)propanedioate has a molecular weight of 374.44 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 2-(3-phenylpropyl)propanedioate is sourced from PubChem (CID 141391929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).