(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone

C16H17NO3 — CID 20719419

IUPAC(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c(O)c2ccccc12
InChIInChI=1S/C16H17NO3/c1-11-10-14(16(19)17-6-8-20-9-7-17)15(18)13-5-3-2-4-12(11)13/h2-5,10,18H,6-9H2,1H3
InChIKeyFETIGEFZQFRNHD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds1

About (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone

(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone (PubChem CID 20719419) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
PubChem CID20719419
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c(O)c2ccccc12
InChIInChI=1S/C16H17NO3/c1-11-10-14(16(19)17-6-8-20-9-7-17)15(18)13-5-3-2-4-12(11)13/h2-5,10,18H,6-9H2,1H3
InChIKeyFETIGEFZQFRNHD-UHFFFAOYSA-N
XLogP2.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-hydroxy-3-(morpholine-4-carbonyl)naphthalen-1-yl]oxy-N-phenylacetamide
CID 21406015
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
4-(morpholine-4-carbonyl)isochromen-1-one
CID 10467730
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563
[2-[(2-methylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 21264591
(2,5-dihydroxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 107722952
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 106770053

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone (CID 20719419) is (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)c(O)c2ccccc12.
What is the InChIKey of (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is FETIGEFZQFRNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-10-14(16(19)17-6-8-20-9-7-17)15(18)13-5-3-2-4-12(11)13/h2-5,10,18H,6-9H2,1H3.
What are the key properties of (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone?
(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 20719419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).