3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid

C24H20O3 — CID 70192323

IUPAC3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1CC=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H20O3/c25-24(26)17-16-21-11-5-4-10-20(21)12-6-8-19-9-7-15-23(18-19)27-22-13-2-1-3-14-22/h1-11,13-18H,12H2,(H,25,26)
InChIKeyVLQDYAXCBNAHEA-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.83
Rot. Bonds7

About 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid

3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid (PubChem CID 70192323) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid
PubChem CID70192323
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1CC=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H20O3/c25-24(26)17-16-21-11-5-4-10-20(21)12-6-8-19-9-7-15-23(18-19)27-22-13-2-1-3-14-22/h1-11,13-18H,12H2,(H,25,26)
InChIKeyVLQDYAXCBNAHEA-UHFFFAOYSA-N
XLogP5.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoic acid
CID 70238101
(E)-3-[2-[(E)-3-phenylprop-1-enyl]phenyl]prop-2-enoic acid;(E)-3-[2-[(E)-3-phenylprop-2-enyl]phenyl]prop-2-enoic acid
CID 52947851
3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 54322707
3-[3-(4-ethoxyphenoxy)phenyl]prop-2-enoic acid
CID 77013821
sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate
CID 23665148
(E)-4-(3-phenoxyphenyl)but-2-enoic acid
CID 12054491
3-[2-[(3-methylphenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908529
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
(E)-3-(2-methyl-4-phenoxyphenyl)prop-2-enoic acid
CID 55038915
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
3-[3-(3-propan-2-ylphenoxy)phenyl]prop-2-enoic acid
CID 77013834

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid (CID 70192323) is 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccccc1CC=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid?
The InChIKey is VLQDYAXCBNAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c25-24(26)17-16-21-11-5-4-10-20(21)12-6-8-19-9-7-15-23(18-19)27-22-13-2-1-3-14-22/h1-11,13-18H,12H2,(H,25,26).
What are the key properties of 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid?
3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid has a molecular weight of 356.42 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 70192323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).