5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid

C18H17NO3 — CID 44626352

IUPAC5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid
SMILESN#Cc1ccc(-c2ccc(CCC(O)CC(=O)O)cc2)cc1
InChIInChI=1S/C18H17NO3/c19-12-14-3-8-16(9-4-14)15-6-1-13(2-7-15)5-10-17(20)11-18(21)22/h1-4,6-9,17,20H,5,10-11H2,(H,21,22)
InChIKeyYDAZWMGCTBJQEO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.99
Rot. Bonds6

About 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid

5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid (PubChem CID 44626352) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid.

Molecular Properties

Compound Name5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid
PubChem CID44626352
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid
SMILESN#Cc1ccc(-c2ccc(CCC(O)CC(=O)O)cc2)cc1
InChIInChI=1S/C18H17NO3/c19-12-14-3-8-16(9-4-14)15-6-1-13(2-7-15)5-10-17(20)11-18(21)22/h1-4,6-9,17,20H,5,10-11H2,(H,21,22)
InChIKeyYDAZWMGCTBJQEO-UHFFFAOYSA-N
XLogP2.99
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid?
The IUPAC name of 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid (CID 44626352) is 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid.
What is the SMILES notation for 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid?
The canonical SMILES for 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid is N#Cc1ccc(-c2ccc(CCC(O)CC(=O)O)cc2)cc1.
What is the InChIKey of 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid?
The InChIKey is YDAZWMGCTBJQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c19-12-14-3-8-16(9-4-14)15-6-1-13(2-7-15)5-10-17(20)11-18(21)22/h1-4,6-9,17,20H,5,10-11H2,(H,21,22).
What are the key properties of 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid?
5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyanophenyl)phenyl]-3-hydroxypentanoic acid is sourced from PubChem (CID 44626352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).