(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol

C10H14O2S — CID 117033384

IUPAC(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol
SMILESCOc1cc(C)c(C)cc1SCO
InChIInChI=1S/C10H14O2S/c1-7-4-9(12-3)10(13-6-11)5-8(7)2/h4-5,11H,6H2,1-3H3
InChIKeyDMNLTONBPDJOFI-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.35
Rot. Bonds3

About (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol

(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol (PubChem CID 117033384) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol.

Molecular Properties

Compound Name(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol
PubChem CID117033384
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol
SMILESCOc1cc(C)c(C)cc1SCO
InChIInChI=1S/C10H14O2S/c1-7-4-9(12-3)10(13-6-11)5-8(7)2/h4-5,11H,6H2,1-3H3
InChIKeyDMNLTONBPDJOFI-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethylsulfanyl)-2-methoxy-4,5-dimethylbenzene
CID 117033356
2-amino-3-(2-methoxy-4,5-dimethylphenyl)sulfanylpropanoic acid
CID 117034719
2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852285
1-(2-methoxy-4,5-dimethylphenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 112501254
3-[(2-methoxy-4,5-dimethylphenyl)sulfanylmethyl]oxetane
CID 117032014
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
CID 105424343
(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol?
The IUPAC name of (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol (CID 117033384) is (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol.
What is the SMILES notation for (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol?
The canonical SMILES for (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol is COc1cc(C)c(C)cc1SCO.
What is the InChIKey of (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol?
The InChIKey is DMNLTONBPDJOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7-4-9(12-3)10(13-6-11)5-8(7)2/h4-5,11H,6H2,1-3H3.
What are the key properties of (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol?
(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol has a molecular weight of 198.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,5-dimethylphenyl)sulfanylmethanol is sourced from PubChem (CID 117033384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).