4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid

C16H17NO3 — CID 21437925

IUPAC4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid
SMILESNc1ccc(-c2ccc(C(O)CCC(=O)O)cc2)cc1
InChIInChI=1S/C16H17NO3/c17-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(18)9-10-16(19)20/h1-8,15,18H,9-10,17H2,(H,19,20)
InChIKeyYERWTMSGJCUJGB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.83
Rot. Bonds5

About 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid

4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid (PubChem CID 21437925) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid
PubChem CID21437925
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid
SMILESNc1ccc(-c2ccc(C(O)CCC(=O)O)cc2)cc1
InChIInChI=1S/C16H17NO3/c17-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(18)9-10-16(19)20/h1-8,15,18H,9-10,17H2,(H,19,20)
InChIKeyYERWTMSGJCUJGB-UHFFFAOYSA-N
XLogP2.83
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
4-hydroxy-4-(4-phenoxyphenyl)butanoic acid
CID 43209399
2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
CID 155758987
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
(4R)-4-amino-5-(4-aminophenyl)pentanoic acid
CID 66644557
[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate
CID 175494072
(2S)-2-aminopentanedioic acid;4-chloroaniline
CID 70375462
4-amino-4-(3-aminophenyl)butanoic acid
CID 55296717
1-(4-aminophenyl)-3-cyclopropylpropan-1-ol
CID 106695552
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 107335113
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one
CID 132535803

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid?
The IUPAC name of 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid (CID 21437925) is 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid.
What is the SMILES notation for 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid?
The canonical SMILES for 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid is Nc1ccc(-c2ccc(C(O)CCC(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid?
The InChIKey is YERWTMSGJCUJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(18)9-10-16(19)20/h1-8,15,18H,9-10,17H2,(H,19,20).
What are the key properties of 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid?
4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)phenyl]-4-hydroxybutanoic acid is sourced from PubChem (CID 21437925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).