2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol

C14H21NO2S — CID 40514865

IUPAC2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol
SMILESCOc1cc(C[C@@H](C)N2CCSCC2)ccc1O
InChIInChI=1S/C14H21NO2S/c1-11(15-5-7-18-8-6-15)9-12-3-4-13(16)14(10-12)17-2/h3-4,10-11,16H,5-9H2,1-2H3/t11-/m1/s1
InChIKeySZXGWKZTJHUZLF-LLVKDONJSA-N
MW267.39 g/mol
LogP2.38
Rot. Bonds4

About 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol

2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol (PubChem CID 40514865) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol
PubChem CID40514865
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol
SMILESCOc1cc(C[C@@H](C)N2CCSCC2)ccc1O
InChIInChI=1S/C14H21NO2S/c1-11(15-5-7-18-8-6-15)9-12-3-4-13(16)14(10-12)17-2/h3-4,10-11,16H,5-9H2,1-2H3/t11-/m1/s1
InChIKeySZXGWKZTJHUZLF-LLVKDONJSA-N
XLogP2.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine
CID 30982621
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid
CID 84747688
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528685
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-ethylpiperazine
CID 30982426
4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol
CID 155415603

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol?
The IUPAC name of 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol (CID 40514865) is 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol?
The canonical SMILES for 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol is COc1cc(C[C@@H](C)N2CCSCC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol?
The InChIKey is SZXGWKZTJHUZLF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(15-5-7-18-8-6-15)9-12-3-4-13(16)14(10-12)17-2/h3-4,10-11,16H,5-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol?
2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol has a molecular weight of 267.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol is sourced from PubChem (CID 40514865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).