(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid

C22H16O4 — CID 11501077

IUPAC(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H16O4/c23-21(24)15-8-16-6-9-17(10-7-16)22(25)18-11-13-20(14-12-18)26-19-4-2-1-3-5-19/h1-15H,(H,23,24)/b15-8+
InChIKeyUXUCKEBTHPCTFJ-OVCLIPMQSA-N
MW344.37 g/mol
LogP4.81
Rot. Bonds6

About (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid

(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid (PubChem CID 11501077) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid
PubChem CID11501077
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H16O4/c23-21(24)15-8-16-6-9-17(10-7-16)22(25)18-11-13-20(14-12-18)26-19-4-2-1-3-5-19/h1-15H,(H,23,24)/b15-8+
InChIKeyUXUCKEBTHPCTFJ-OVCLIPMQSA-N
XLogP4.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 171358471
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
(E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid
CID 43327337
3-(4-phenoxyphenyl)prop-2-enoyl chloride
CID 142711517
(E)-3-[4-(3-bromophenoxy)phenyl]prop-2-enoic acid
CID 29058852
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid (CID 11501077) is (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid?
The InChIKey is UXUCKEBTHPCTFJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H16O4/c23-21(24)15-8-16-6-9-17(10-7-16)22(25)18-11-13-20(14-12-18)26-19-4-2-1-3-5-19/h1-15H,(H,23,24)/b15-8+.
What are the key properties of (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid?
(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid has a molecular weight of 344.37 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 11501077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).