(4-phenylphenyl) 3-prop-2-enoyloxypropanoate

C18H16O4 — CID 171768556

IUPAC(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16O4/c1-2-17(19)21-13-12-18(20)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-11H,1,12-13H2
InChIKeySJBOIRIDFOVIJY-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.38
Rot. Bonds6

About (4-phenylphenyl) 3-prop-2-enoyloxypropanoate

(4-phenylphenyl) 3-prop-2-enoyloxypropanoate (PubChem CID 171768556) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (4-phenylphenyl) 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
PubChem CID171768556
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16O4/c1-2-17(19)21-13-12-18(20)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-11H,1,12-13H2
InChIKeySJBOIRIDFOVIJY-UHFFFAOYSA-N
XLogP3.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[4-(4-chlorophenyl)phenyl] 4-prop-2-enoyloxybutanoate
CID 166069257
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate
CID 168764522
phenyl 3-(oxomethylidene)-5-prop-2-enoyloxypentanoate
CID 141076138
(4-methylphenyl) 7-prop-2-enoyloxyheptanoate
CID 21049752
[4-(4-cyanophenyl)phenyl] 8-prop-2-enoyloxyoctanoate
CID 20586865
[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate
CID 59745963
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
2-(4-phenylphenyl)phosphanylethyl prop-2-enoate
CID 54188733
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 3-prop-2-enoyloxypropanoate?
The IUPAC name of (4-phenylphenyl) 3-prop-2-enoyloxypropanoate (CID 171768556) is (4-phenylphenyl) 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for (4-phenylphenyl) 3-prop-2-enoyloxypropanoate?
The canonical SMILES for (4-phenylphenyl) 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl) 3-prop-2-enoyloxypropanoate?
The InChIKey is SJBOIRIDFOVIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-2-17(19)21-13-12-18(20)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-11H,1,12-13H2.
What are the key properties of (4-phenylphenyl) 3-prop-2-enoyloxypropanoate?
(4-phenylphenyl) 3-prop-2-enoyloxypropanoate has a molecular weight of 296.32 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 171768556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).