[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate

C10H14O5S — CID 87403011

IUPAC[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate
SMILESCOc1ccccc1[C@@H](O)COS(C)(=O)=O
InChIInChI=1S/C10H14O5S/c1-14-10-6-4-3-5-8(10)9(11)7-15-16(2,12)13/h3-6,9,11H,7H2,1-2H3/t9-/m0/s1
InChIKeyFWZRGLKWBBQHHN-VIFPVBQESA-N
MW246.28 g/mol
LogP0.70
Rot. Bonds5

About [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate

[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate (PubChem CID 87403011) has the molecular formula C10H14O5S and a molecular weight of 246.28 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate
PubChem CID87403011
Molecular FormulaC10H14O5S
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate
SMILESCOc1ccccc1[C@@H](O)COS(C)(=O)=O
InChIInChI=1S/C10H14O5S/c1-14-10-6-4-3-5-8(10)9(11)7-15-16(2,12)13/h3-6,9,11H,7H2,1-2H3/t9-/m0/s1
InChIKeyFWZRGLKWBBQHHN-VIFPVBQESA-N
XLogP0.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)butyl methanesulfonate
CID 121339648
[2-hydroxy-2-(2-methoxyphenyl)ethyl] 2-nitrobenzenesulfonate
CID 46852857
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol
CID 117060650
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
[2-(difluoromethyl)-6-methoxyphenyl]methyl methanesulfonate
CID 177323170
1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585319

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate?
The IUPAC name of [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate (CID 87403011) is [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate.
What is the SMILES notation for [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate?
The canonical SMILES for [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate is COc1ccccc1[C@@H](O)COS(C)(=O)=O.
What is the InChIKey of [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate?
The InChIKey is FWZRGLKWBBQHHN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14O5S/c1-14-10-6-4-3-5-8(10)9(11)7-15-16(2,12)13/h3-6,9,11H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate?
[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate has a molecular weight of 246.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate is sourced from PubChem (CID 87403011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).