dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane

C8H12O3S — CID 58227638

IUPACdihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane
SMILESCOc1cccc(S(C)(O)O)c1
InChIInChI=1S/C8H12O3S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h3-6,9-10H,1-2H3
InChIKeyYOEIHMDNFLXTHP-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.43
Rot. Bonds2

About dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane

dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane (PubChem CID 58227638) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane.

Molecular Properties

Compound Namedihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane
PubChem CID58227638
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Namedihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane
SMILESCOc1cccc(S(C)(O)O)c1
InChIInChI=1S/C8H12O3S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h3-6,9-10H,1-2H3
InChIKeyYOEIHMDNFLXTHP-UHFFFAOYSA-N
XLogP2.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 172849383
CID 172849383
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
but-2-ene;3-methoxybenzenesulfonic acid
CID 175366995
3-methoxybenzenesulfonamide
CID 14763060
3-methoxybenzenesulfonic acid;3-methylideneaziridin-2-one
CID 174654419
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
(3-methoxyphenyl)sulfonyl-methylazanide
CID 59280617
bis(3-methoxyphenyl)borinic acid
CID 153354662
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
calcium;1,3-dimethoxybenzene;hydride
CID 174808068

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane?
The IUPAC name of dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane (CID 58227638) is dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane.
What is the SMILES notation for dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane?
The canonical SMILES for dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane is COc1cccc(S(C)(O)O)c1.
What is the InChIKey of dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane?
The InChIKey is YOEIHMDNFLXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h3-6,9-10H,1-2H3.
What are the key properties of dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane?
dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane has a molecular weight of 188.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane is sourced from PubChem (CID 58227638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).