(2-methoxy-5-methylphenyl)sulfonylmethanol

C9H12O4S — CID 117036688

IUPAC(2-methoxy-5-methylphenyl)sulfonylmethanol
SMILESCOc1ccc(C)cc1S(=O)(=O)CO
InChIInChI=1S/C9H12O4S/c1-7-3-4-8(13-2)9(5-7)14(11,12)6-10/h3-5,10H,6H2,1-2H3
InChIKeyWIPFNBNVYHNRNS-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.73
Rot. Bonds3

About (2-methoxy-5-methylphenyl)sulfonylmethanol

(2-methoxy-5-methylphenyl)sulfonylmethanol (PubChem CID 117036688) has the molecular formula C9H12O4S and a molecular weight of 216.26 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)sulfonylmethanol.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)sulfonylmethanol
PubChem CID117036688
Molecular FormulaC9H12O4S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name(2-methoxy-5-methylphenyl)sulfonylmethanol
SMILESCOc1ccc(C)cc1S(=O)(=O)CO
InChIInChI=1S/C9H12O4S/c1-7-3-4-8(13-2)9(5-7)14(11,12)6-10/h3-5,10H,6H2,1-2H3
InChIKeyWIPFNBNVYHNRNS-UHFFFAOYSA-N
XLogP0.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpropan-1-amine
CID 116853313
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine
CID 117036219
phenyl 2-methoxy-5-methylbenzenesulfonate
CID 166600539
(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
CID 80751486
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
1-[1-(2-methoxy-5-methylphenyl)sulfonylcyclopropyl]-N-methylmethanamine
CID 117037485
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166187507
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)sulfonylmethanol?
The IUPAC name of (2-methoxy-5-methylphenyl)sulfonylmethanol (CID 117036688) is (2-methoxy-5-methylphenyl)sulfonylmethanol.
What is the SMILES notation for (2-methoxy-5-methylphenyl)sulfonylmethanol?
The canonical SMILES for (2-methoxy-5-methylphenyl)sulfonylmethanol is COc1ccc(C)cc1S(=O)(=O)CO.
What is the InChIKey of (2-methoxy-5-methylphenyl)sulfonylmethanol?
The InChIKey is WIPFNBNVYHNRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4S/c1-7-3-4-8(13-2)9(5-7)14(11,12)6-10/h3-5,10H,6H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)sulfonylmethanol?
(2-methoxy-5-methylphenyl)sulfonylmethanol has a molecular weight of 216.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)sulfonylmethanol is sourced from PubChem (CID 117036688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).