(E)-2-(4-phenylphenyl)hex-4-enoic acid

C18H18O2 — CID 6436176

IUPAC(E)-2-(4-phenylphenyl)hex-4-enoic acid
SMILESC/C=C/CC(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-2-3-9-17(18(19)20)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h2-8,10-13,17H,9H2,1H3,(H,19,20)/b3-2+
InChIKeyZVRCODPBROUJIT-NSCUHMNNSA-N
MW266.34 g/mol
LogP4.49
Rot. Bonds5

About (E)-2-(4-phenylphenyl)hex-4-enoic acid

(E)-2-(4-phenylphenyl)hex-4-enoic acid (PubChem CID 6436176) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-2-(4-phenylphenyl)hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-(4-phenylphenyl)hex-4-enoic acid
PubChem CID6436176
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(E)-2-(4-phenylphenyl)hex-4-enoic acid
SMILESC/C=C/CC(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-2-3-9-17(18(19)20)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h2-8,10-13,17H,9H2,1H3,(H,19,20)/b3-2+
InChIKeyZVRCODPBROUJIT-NSCUHMNNSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-phenylphenyl)hex-4-enoic acid?
The IUPAC name of (E)-2-(4-phenylphenyl)hex-4-enoic acid (CID 6436176) is (E)-2-(4-phenylphenyl)hex-4-enoic acid.
What is the SMILES notation for (E)-2-(4-phenylphenyl)hex-4-enoic acid?
The canonical SMILES for (E)-2-(4-phenylphenyl)hex-4-enoic acid is C/C=C/CC(C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-2-(4-phenylphenyl)hex-4-enoic acid?
The InChIKey is ZVRCODPBROUJIT-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-3-9-17(18(19)20)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h2-8,10-13,17H,9H2,1H3,(H,19,20)/b3-2+.
What are the key properties of (E)-2-(4-phenylphenyl)hex-4-enoic acid?
(E)-2-(4-phenylphenyl)hex-4-enoic acid has a molecular weight of 266.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-phenylphenyl)hex-4-enoic acid is sourced from PubChem (CID 6436176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).