1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one

C17H27NO2 — CID 15682695

IUPAC1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(CN(C)C)c(CCC)c1O
InChIInChI=1S/C17H27NO2/c1-5-7-9-16(19)15-11-10-13(12-18(3)4)14(8-6-2)17(15)20/h10-11,20H,5-9,12H2,1-4H3
InChIKeyPKOXZPGEMHGMFG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.78
Rot. Bonds8

About 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one

1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one (PubChem CID 15682695) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one
PubChem CID15682695
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(CN(C)C)c(CCC)c1O
InChIInChI=1S/C17H27NO2/c1-5-7-9-16(19)15-11-10-13(12-18(3)4)14(8-6-2)17(15)20/h10-11,20H,5-9,12H2,1-4H3
InChIKeyPKOXZPGEMHGMFG-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one (CID 15682695) is 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one is CCCCC(=O)c1ccc(CN(C)C)c(CCC)c1O.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one?
The InChIKey is PKOXZPGEMHGMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-7-9-16(19)15-11-10-13(12-18(3)4)14(8-6-2)17(15)20/h10-11,20H,5-9,12H2,1-4H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one?
1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-2-hydroxy-3-propylphenyl]pentan-1-one is sourced from PubChem (CID 15682695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).