1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride

C15H22ClNO3 — CID 16736967

IUPAC1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(OCCN2CCCC2)c(C)c1O.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-11-14(6-5-13(12(2)17)15(11)18)19-10-9-16-7-3-4-8-16;/h5-6,18H,3-4,7-10H2,1-2H3;1H
InChIKeyRRKJVQYUDSYNSF-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride

1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride (PubChem CID 16736967) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride
PubChem CID16736967
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(OCCN2CCCC2)c(C)c1O.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-11-14(6-5-13(12(2)17)15(11)18)19-10-9-16-7-3-4-8-16;/h5-6,18H,3-4,7-10H2,1-2H3;1H
InChIKeyRRKJVQYUDSYNSF-UHFFFAOYSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
CID 82971448
1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 55244767
2-(4-acetyl-3-hydroxy-2-methylphenoxy)acetic acid
CID 21287011
3-[4-(4-acetyl-3-hydroxy-2-methylphenoxy)butoxy]-4-methoxybenzoic acid
CID 90643896
1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
CID 43474266
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride
CID 53304985
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
1-[2-hydroxy-4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-propylphenyl]ethanone
CID 94036703
1-[2-nitro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone
CID 104529862
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride (CID 16736967) is 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride is CC(=O)c1ccc(OCCN2CCCC2)c(C)c1O.Cl.
What is the InChIKey of 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride?
The InChIKey is RRKJVQYUDSYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-11-14(6-5-13(12(2)17)15(11)18)19-10-9-16-7-3-4-8-16;/h5-6,18H,3-4,7-10H2,1-2H3;1H.
What are the key properties of 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride?
1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 16736967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).