1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one

C15H15NO2 — CID 116577080

IUPAC1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
SMILESNc1cccc(CC(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C15H15NO2/c16-13-5-1-3-11(7-13)9-15(18)10-12-4-2-6-14(17)8-12/h1-8,17H,9-10,16H2
InChIKeySUPOUXQFFCQHMY-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.33
Rot. Bonds4

About 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one

1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one (PubChem CID 116577080) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
PubChem CID116577080
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
SMILESNc1cccc(CC(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C15H15NO2/c16-13-5-1-3-11(7-13)9-15(18)10-12-4-2-6-14(17)8-12/h1-8,17H,9-10,16H2
InChIKeySUPOUXQFFCQHMY-UHFFFAOYSA-N
XLogP2.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.33
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-(3-aminophenyl)-4-ethylhexan-2-one
CID 116577226
1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 82803396
1-(3-aminophenyl)-4-methylsulfonylbutan-2-one
CID 116577269
1-(2-aminoethoxy)-3-(3-hydroxyphenyl)propan-2-one
CID 116590839
1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one
CID 116577142
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
1-(3-aminophenyl)-3-(1-methylimidazol-2-yl)propan-2-one
CID 116577218
(3-aminophenyl)methanol;phenol
CID 174804454
3-aminophenol;2-methylpropanoic acid
CID 70507875
1-(3-aminophenyl)-4-tert-butylsulfonylbutan-2-one
CID 106736490
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
S-ethyl 2-(3-aminophenyl)ethanethioate
CID 21201588

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one (CID 116577080) is 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one is Nc1cccc(CC(=O)Cc2cccc(O)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one?
The InChIKey is SUPOUXQFFCQHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-13-5-1-3-11(7-13)9-15(18)10-12-4-2-6-14(17)8-12/h1-8,17H,9-10,16H2.
What are the key properties of 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one?
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 116577080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).