2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid

C18H16O2 — CID 67279232

IUPAC2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid
SMILESCC=C(C(=O)O)c1ccccc1C=Cc1ccccc1
InChIInChI=1S/C18H16O2/c1-2-16(18(19)20)17-11-7-6-10-15(17)13-12-14-8-4-3-5-9-14/h2-13H,1H3,(H,19,20)
InChIKeyNLWVHJZQJKXNOZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.34
Rot. Bonds4

About 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid

2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid (PubChem CID 67279232) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid.

Molecular Properties

Compound Name2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid
PubChem CID67279232
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid
SMILESCC=C(C(=O)O)c1ccccc1C=Cc1ccccc1
InChIInChI=1S/C18H16O2/c1-2-16(18(19)20)17-11-7-6-10-15(17)13-12-14-8-4-3-5-9-14/h2-13H,1H3,(H,19,20)
InChIKeyNLWVHJZQJKXNOZ-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.34
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

1-phenyl-2-[2-(2-phenylethenyl)phenyl]ethane-1,2-dione
CID 141311966
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
CID 46868614
acetic acid;stilbene
CID 172803728
carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium
CID 11090970
3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
CID 70472676
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
CID 67876110
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
(E)-2-[2-[(3E)-4-(4-chlorophenyl)buta-1,3-dienyl]phenyl]-3-methoxyprop-2-enoic acid
CID 173240825
(E)-3-methoxy-2-[2-[(3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]prop-2-enoic acid
CID 173241139
N-(4-ethylphenyl)-2-[(E)-2-phenylethenyl]benzamide
CID 72696812
9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone
CID 162206940
2-[2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzoic acid
CID 66996652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid?
The IUPAC name of 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid (CID 67279232) is 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid.
What is the SMILES notation for 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid?
The canonical SMILES for 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid is CC=C(C(=O)O)c1ccccc1C=Cc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid?
The InChIKey is NLWVHJZQJKXNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-2-16(18(19)20)17-11-7-6-10-15(17)13-12-14-8-4-3-5-9-14/h2-13H,1H3,(H,19,20).
What are the key properties of 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid?
2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid has a molecular weight of 264.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid is sourced from PubChem (CID 67279232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).