1-(4-aminophenyl)-4-hydroxybutan-1-one

C10H13NO2 — CID 53407117

IUPAC1-(4-aminophenyl)-4-hydroxybutan-1-one
SMILESNc1ccc(C(=O)CCCO)cc1
InChIInChI=1S/C10H13NO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,12H,1-2,7,11H2
InChIKeyRHDDZNWMKVAUSQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.22
Rot. Bonds4

About 1-(4-aminophenyl)-4-hydroxybutan-1-one

1-(4-aminophenyl)-4-hydroxybutan-1-one (PubChem CID 53407117) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(4-aminophenyl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-4-hydroxybutan-1-one
PubChem CID53407117
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(4-aminophenyl)-4-hydroxybutan-1-one
SMILESNc1ccc(C(=O)CCCO)cc1
InChIInChI=1S/C10H13NO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,12H,1-2,7,11H2
InChIKeyRHDDZNWMKVAUSQ-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one
CID 58212344
4-hydroxy-1-(4-methylsulfanylphenyl)butan-1-one
CID 86219757
3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one
CID 168820225
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
2-[19-(4-aminophenyl)-19-oxononadecanoyl]oxyacetic acid
CID 20539768
4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
CID 98016741
benzene-1,4-diamine;hexane-1,6-diol
CID 139054112
1-(4-aminophenyl)propan-1-one
CID 6270
1-(4-aminophenyl)-2-sulfanylethanone
CID 89175546
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(4-aminophenyl)-4-hydroxybutan-1-one (CID 53407117) is 1-(4-aminophenyl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-4-hydroxybutan-1-one is Nc1ccc(C(=O)CCCO)cc1.
What is the InChIKey of 1-(4-aminophenyl)-4-hydroxybutan-1-one?
The InChIKey is RHDDZNWMKVAUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,12H,1-2,7,11H2.
What are the key properties of 1-(4-aminophenyl)-4-hydroxybutan-1-one?
1-(4-aminophenyl)-4-hydroxybutan-1-one has a molecular weight of 179.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-4-hydroxybutan-1-one is sourced from PubChem (CID 53407117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).