(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride

C18H17ClOS — CID 18959076

IUPAC(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride
SMILESC[S+](Cc1cccc2ccccc12)c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C18H16OS.ClH/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15;/h2-12H,13H2,1H3;1H
InChIKeySKFPYTZTZGJNCR-UHFFFAOYSA-N
MW316.85 g/mol
LogP1.36
Rot. Bonds3

About (4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride

(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride (PubChem CID 18959076) has the molecular formula C18H17ClOS and a molecular weight of 316.85 g/mol. Its IUPAC name is (4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride.

Molecular Properties

Compound Name(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride
PubChem CID18959076
Molecular FormulaC18H17ClOS
Molecular Weight316.85 g/mol
Exact Mass316.07
IUPAC Name(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride
SMILESC[S+](Cc1cccc2ccccc12)c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C18H16OS.ClH/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15;/h2-12H,13H2,1H3;1H
InChIKeySKFPYTZTZGJNCR-UHFFFAOYSA-N
XLogP1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 51.36
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-(naphthalen-1-ylmethyl)sulfanium chloride?
The IUPAC name of (4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride (CID 18959076) is (4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride.
What is the SMILES notation for (4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride?
The canonical SMILES for (4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride is C[S+](Cc1cccc2ccccc12)c1ccc(O)cc1.[Cl-].
What is the InChIKey of (4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride?
The InChIKey is SKFPYTZTZGJNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS.ClH/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15;/h2-12H,13H2,1H3;1H.
What are the key properties of (4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride?
(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride has a molecular weight of 316.85 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride is sourced from PubChem (CID 18959076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).