5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid

C20H22O2 — CID 57178273

IUPAC5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid
SMILESCC(C)c1ccc(C(=CCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H22O2/c1-15(2)16-11-13-18(14-12-16)19(9-6-10-20(21)22)17-7-4-3-5-8-17/h3-5,7-9,11-15H,6,10H2,1-2H3,(H,21,22)
InChIKeyPQYODGULNCWNSD-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.11
Rot. Bonds6

About 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid

5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid (PubChem CID 57178273) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid
PubChem CID57178273
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid
SMILESCC(C)c1ccc(C(=CCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H22O2/c1-15(2)16-11-13-18(14-12-16)19(9-6-10-20(21)22)17-7-4-3-5-8-17/h3-5,7-9,11-15H,6,10H2,1-2H3,(H,21,22)
InChIKeyPQYODGULNCWNSD-UHFFFAOYSA-N
XLogP5.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid?
The IUPAC name of 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid (CID 57178273) is 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid.
What is the SMILES notation for 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid?
The canonical SMILES for 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid is CC(C)c1ccc(C(=CCCC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid?
The InChIKey is PQYODGULNCWNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-15(2)16-11-13-18(14-12-16)19(9-6-10-20(21)22)17-7-4-3-5-8-17/h3-5,7-9,11-15H,6,10H2,1-2H3,(H,21,22).
What are the key properties of 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid?
5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid has a molecular weight of 294.39 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid is sourced from PubChem (CID 57178273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).