2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione

C13H17NO2S — CID 142614303

IUPAC2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione
SMILESCc1ccc(CC(=S)N2CCOCC2)c(O)c1
InChIInChI=1S/C13H17NO2S/c1-10-2-3-11(12(15)8-10)9-13(17)14-4-6-16-7-5-14/h2-3,8,15H,4-7,9H2,1H3
InChIKeyBKGPYULVJIVLHP-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione

2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione (PubChem CID 142614303) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione.

Molecular Properties

Compound Name2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione
PubChem CID142614303
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione
SMILESCc1ccc(CC(=S)N2CCOCC2)c(O)c1
InChIInChI=1S/C13H17NO2S/c1-10-2-3-11(12(15)8-10)9-13(17)14-4-6-16-7-5-14/h2-3,8,15H,4-7,9H2,1H3
InChIKeyBKGPYULVJIVLHP-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
methyl 2-[4-[4-methyl-2-(2-morpholin-4-yl-2-sulfanylideneethyl)phenoxy]phenyl]propanoate
CID 170898897
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470896
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2611661
2-hydroxy-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115581591
2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione
CID 151461762
2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione
CID 7341191
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
ethane;2-ethyl-5-methylphenol
CID 142001660
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine
CID 117111098

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione?
The IUPAC name of 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione (CID 142614303) is 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione.
What is the SMILES notation for 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione?
The canonical SMILES for 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione is Cc1ccc(CC(=S)N2CCOCC2)c(O)c1.
What is the InChIKey of 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione?
The InChIKey is BKGPYULVJIVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-10-2-3-11(12(15)8-10)9-13(17)14-4-6-16-7-5-14/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione?
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione has a molecular weight of 251.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione is sourced from PubChem (CID 142614303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).