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

C17H14O2 — CID 68869387

IUPAC(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
SMILESC=Cc1ccccc1-c1ccccc1/C=C/C(=O)O
InChIInChI=1S/C17H14O2/c1-2-13-7-3-5-9-15(13)16-10-6-4-8-14(16)11-12-17(18)19/h2-12H,1H2,(H,18,19)/b12-11+
InChIKeyITEBZXMIZMUWNS-VAWYXSNFSA-N
MW250.30 g/mol
LogP4.09
Rot. Bonds4

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

(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid (PubChem CID 68869387) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
PubChem CID68869387
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
SMILESC=Cc1ccccc1-c1ccccc1/C=C/C(=O)O
InChIInChI=1S/C17H14O2/c1-2-13-7-3-5-9-15(13)16-10-6-4-8-14(16)11-12-17(18)19/h2-12H,1H2,(H,18,19)/b12-11+
InChIKeyITEBZXMIZMUWNS-VAWYXSNFSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 175341488
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
[2-(2-ethenylphenyl)phenyl]-phenylmethanone
CID 71373352
2-amino-3-[2-[2-(2-carboxyethenyl)-3-(2-ethenylphenyl)phenyl]phenyl]propanoic acid
CID 123250295
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
3-[2-(1H-pyrazol-5-yl)phenyl]prop-2-enoic acid
CID 67830462
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
CID 70472676
3-[4-(2-carboxyethenyl)-9,10-dioxoanthracen-1-yl]prop-2-enoic acid
CID 57107481

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid (CID 68869387) is (E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid is C=Cc1ccccc1-c1ccccc1/C=C/C(=O)O.
What is the InChIKey of (E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid?
The InChIKey is ITEBZXMIZMUWNS-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H14O2/c1-2-13-7-3-5-9-15(13)16-10-6-4-8-14(16)11-12-17(18)19/h2-12H,1H2,(H,18,19)/b12-11+.
What are the key properties of (E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid?
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid has a molecular weight of 250.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 68869387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).