4-(methoxymethoxysulfanyl)phenol

C8H10O3S — CID 70117921

IUPAC4-(methoxymethoxysulfanyl)phenol
SMILESCOCOSc1ccc(O)cc1
InChIInChI=1S/C8H10O3S/c1-10-6-11-12-8-4-2-7(9)3-5-8/h2-5,9H,6H2,1H3
InChIKeyRKANIRPEZWMTTQ-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.02
Rot. Bonds4

About 4-(methoxymethoxysulfanyl)phenol

4-(methoxymethoxysulfanyl)phenol (PubChem CID 70117921) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-(methoxymethoxysulfanyl)phenol.

Molecular Properties

Compound Name4-(methoxymethoxysulfanyl)phenol
PubChem CID70117921
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name4-(methoxymethoxysulfanyl)phenol
SMILESCOCOSc1ccc(O)cc1
InChIInChI=1S/C8H10O3S/c1-10-6-11-12-8-4-2-7(9)3-5-8/h2-5,9H,6H2,1H3
InChIKeyRKANIRPEZWMTTQ-UHFFFAOYSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(methoxymethoxysulfanyl)phenol 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

4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol
CID 139784485
4-(trioxidanylsulfanyl)phenol
CID 20632478
4-(2-hydroxy-3-methoxypropyl)sulfanylphenol
CID 63930264
methoxymethyl 4-hydroxybenzoate
CID 58114704
4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
CID 14794071
6-methoxysulfanylnaphthalen-2-ol
CID 54090378
4-(1,1-difluoro-2-methoxyethyl)phenol
CID 83855813
4-[2-(ethoxymethoxy)ethylsulfanyl]phenol
CID 22288048
sodium;hydride;4-methylsulfanylphenol
CID 174371659
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
4-(4-amino-3-methoxyphenyl)sulfanylphenol
CID 91879711
4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137270193

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxysulfanyl)phenol?
The IUPAC name of 4-(methoxymethoxysulfanyl)phenol (CID 70117921) is 4-(methoxymethoxysulfanyl)phenol.
What is the SMILES notation for 4-(methoxymethoxysulfanyl)phenol?
The canonical SMILES for 4-(methoxymethoxysulfanyl)phenol is COCOSc1ccc(O)cc1.
What is the InChIKey of 4-(methoxymethoxysulfanyl)phenol?
The InChIKey is RKANIRPEZWMTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-10-6-11-12-8-4-2-7(9)3-5-8/h2-5,9H,6H2,1H3.
What are the key properties of 4-(methoxymethoxysulfanyl)phenol?
4-(methoxymethoxysulfanyl)phenol has a molecular weight of 186.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxysulfanyl)phenol is sourced from PubChem (CID 70117921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).