[4-(methoxymethylsulfanyl)phenyl]methanol

C9H12O2S — CID 21036167

IUPAC[4-(methoxymethylsulfanyl)phenyl]methanol
SMILESCOCSc1ccc(CO)cc1
InChIInChI=1S/C9H12O2S/c1-11-7-12-9-4-2-8(6-10)3-5-9/h2-5,10H,6-7H2,1H3
InChIKeyLJIOUKFPTDEJMX-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.87
Rot. Bonds4

About [4-(methoxymethylsulfanyl)phenyl]methanol

[4-(methoxymethylsulfanyl)phenyl]methanol (PubChem CID 21036167) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is [4-(methoxymethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(methoxymethylsulfanyl)phenyl]methanol
PubChem CID21036167
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name[4-(methoxymethylsulfanyl)phenyl]methanol
SMILESCOCSc1ccc(CO)cc1
InChIInChI=1S/C9H12O2S/c1-11-7-12-9-4-2-8(6-10)3-5-9/h2-5,10H,6-7H2,1H3
InChIKeyLJIOUKFPTDEJMX-UHFFFAOYSA-N
XLogP1.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethylsulfanyl)phenyl]methanol?
The IUPAC name of [4-(methoxymethylsulfanyl)phenyl]methanol (CID 21036167) is [4-(methoxymethylsulfanyl)phenyl]methanol.
What is the SMILES notation for [4-(methoxymethylsulfanyl)phenyl]methanol?
The canonical SMILES for [4-(methoxymethylsulfanyl)phenyl]methanol is COCSc1ccc(CO)cc1.
What is the InChIKey of [4-(methoxymethylsulfanyl)phenyl]methanol?
The InChIKey is LJIOUKFPTDEJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-11-7-12-9-4-2-8(6-10)3-5-9/h2-5,10H,6-7H2,1H3.
What are the key properties of [4-(methoxymethylsulfanyl)phenyl]methanol?
[4-(methoxymethylsulfanyl)phenyl]methanol has a molecular weight of 184.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 21036167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).