3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid

C17H14O2 — CID 70472676

IUPAC3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1C=Cc1ccccc1
InChIInChI=1S/C17H14O2/c18-17(19)13-12-16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-13H,(H,18,19)
InChIKeyBGIPUCONVJSUEP-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.95
Rot. Bonds4

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

3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid (PubChem CID 70472676) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
PubChem CID70472676
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1C=Cc1ccccc1
InChIInChI=1S/C17H14O2/c18-17(19)13-12-16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-13H,(H,18,19)
InChIKeyBGIPUCONVJSUEP-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenylprop-2-enoic acid
CID 5372954
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
acetic acid;stilbene
CID 172803728
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid (CID 70472676) is 3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccccc1C=Cc1ccccc1.
What is the InChIKey of 3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid?
The InChIKey is BGIPUCONVJSUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-17(19)13-12-16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-13H,(H,18,19).
What are the key properties of 3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid?
3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid has a molecular weight of 250.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 70472676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).