(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium

C15H17OS+ — CID 59434406

IUPAC(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium
SMILESCc1ccccc1C[S+](C)c1ccc(O)cc1
InChIInChI=1S/C15H16OS/c1-12-5-3-4-6-13(12)11-17(2)15-9-7-14(16)8-10-15/h3-10H,11H2,1-2H3/p+1
InChIKeyIJTZFJPYYHBTLQ-UHFFFAOYSA-O
MW245.37 g/mol
LogP3.51
Rot. Bonds3

About (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium

(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium (PubChem CID 59434406) has the molecular formula C15H17OS+ and a molecular weight of 245.37 g/mol. Its IUPAC name is (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium.

Molecular Properties

Compound Name(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium
PubChem CID59434406
Molecular FormulaC15H17OS+
Molecular Weight245.37 g/mol
Exact Mass245.10
IUPAC Name(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium
SMILESCc1ccccc1C[S+](C)c1ccc(O)cc1
InChIInChI=1S/C15H16OS/c1-12-5-3-4-6-13(12)11-17(2)15-9-7-14(16)8-10-15/h3-10H,11H2,1-2H3/p+1
InChIKeyIJTZFJPYYHBTLQ-UHFFFAOYSA-O
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium?
The IUPAC name of (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium (CID 59434406) is (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium.
What is the SMILES notation for (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium?
The canonical SMILES for (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium is Cc1ccccc1C[S+](C)c1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium?
The InChIKey is IJTZFJPYYHBTLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16OS/c1-12-5-3-4-6-13(12)11-17(2)15-9-7-14(16)8-10-15/h3-10H,11H2,1-2H3/p+1.
What are the key properties of (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium?
(4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium has a molecular weight of 245.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-methyl-[(2-methylphenyl)methyl]sulfanium is sourced from PubChem (CID 59434406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).