[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone

C16H23NO3 — CID 59382251

IUPAC[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)C(C)c1cc(C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C16H23NO3/c1-11(2)12(3)14-10-13(4-5-15(14)18)16(19)17-6-8-20-9-7-17/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyKPEWIYDJLFUXCN-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.62
Rot. Bonds3

About [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone

[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 59382251) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID59382251
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)C(C)c1cc(C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C16H23NO3/c1-11(2)12(3)14-10-13(4-5-15(14)18)16(19)17-6-8-20-9-7-17/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyKPEWIYDJLFUXCN-UHFFFAOYSA-N
XLogP2.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882454
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone (CID 59382251) is [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone is CC(C)C(C)c1cc(C(=O)N2CCOCC2)ccc1O.
What is the InChIKey of [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is KPEWIYDJLFUXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)12(3)14-10-13(4-5-15(14)18)16(19)17-6-8-20-9-7-17/h4-5,10-12,18H,6-9H2,1-3H3.
What are the key properties of [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone?
[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 277.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59382251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).