3-hydroxy-5-(4-phenylphenyl)pentanoic acid

C17H18O3 — CID 11391583

IUPAC3-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(O)CC(O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)
InChIKeyILGSIIFHQGOKKV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.12
Rot. Bonds6

About 3-hydroxy-5-(4-phenylphenyl)pentanoic acid

3-hydroxy-5-(4-phenylphenyl)pentanoic acid (PubChem CID 11391583) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-hydroxy-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-hydroxy-5-(4-phenylphenyl)pentanoic acid
PubChem CID11391583
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(O)CC(O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)
InChIKeyILGSIIFHQGOKKV-UHFFFAOYSA-N
XLogP3.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 3-hydroxy-5-(4-phenylphenyl)pentanoic acid (CID 11391583) is 3-hydroxy-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 3-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 3-hydroxy-5-(4-phenylphenyl)pentanoic acid is O=C(O)CC(O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is ILGSIIFHQGOKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20).
What are the key properties of 3-hydroxy-5-(4-phenylphenyl)pentanoic acid?
3-hydroxy-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 11391583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).