1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one

C19H23NO3 — CID 71459673

IUPAC1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one
SMILESCCC(=O)c1c(O)cccc1OCCCNc1ccc(C)cc1
InChIInChI=1S/C19H23NO3/c1-3-16(21)19-17(22)6-4-7-18(19)23-13-5-12-20-15-10-8-14(2)9-11-15/h4,6-11,20,22H,3,5,12-13H2,1-2H3
InChIKeyZRDHSEUMRVICEO-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.17
Rot. Bonds8

About 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one

1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one (PubChem CID 71459673) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one
PubChem CID71459673
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one
SMILESCCC(=O)c1c(O)cccc1OCCCNc1ccc(C)cc1
InChIInChI=1S/C19H23NO3/c1-3-16(21)19-17(22)6-4-7-18(19)23-13-5-12-20-15-10-8-14(2)9-11-15/h4,6-11,20,22H,3,5,12-13H2,1-2H3
InChIKeyZRDHSEUMRVICEO-UHFFFAOYSA-N
XLogP4.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one?
The IUPAC name of 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one (CID 71459673) is 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one is CCC(=O)c1c(O)cccc1OCCCNc1ccc(C)cc1.
What is the InChIKey of 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one?
The InChIKey is ZRDHSEUMRVICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-16(21)19-17(22)6-4-7-18(19)23-13-5-12-20-15-10-8-14(2)9-11-15/h4,6-11,20,22H,3,5,12-13H2,1-2H3.
What are the key properties of 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one?
1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one has a molecular weight of 313.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-[3-(4-methylanilino)propoxy]phenyl]propan-1-one is sourced from PubChem (CID 71459673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).