(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium

C17H15OS+ — CID 154141086

IUPAC(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium
SMILESC[S+](c1ccc(O)cc1)c1cccc2ccccc12
InChIInChI=1S/C17H14OS/c1-19(15-11-9-14(18)10-12-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3/p+1
InChIKeyCGAOONIFMLFGGH-UHFFFAOYSA-O
MW267.37 g/mol
LogP4.21
Rot. Bonds2

About (4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium

(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium (PubChem CID 154141086) has the molecular formula C17H15OS+ and a molecular weight of 267.37 g/mol. Its IUPAC name is (4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium.

Molecular Properties

Compound Name(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium
PubChem CID154141086
Molecular FormulaC17H15OS+
Molecular Weight267.37 g/mol
Exact Mass267.08
IUPAC Name(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium
SMILESC[S+](c1ccc(O)cc1)c1cccc2ccccc12
InChIInChI=1S/C17H14OS/c1-19(15-11-9-14(18)10-12-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3/p+1
InChIKeyCGAOONIFMLFGGH-UHFFFAOYSA-O
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.21
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-ylsulfanium?
The IUPAC name of (4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium (CID 154141086) is (4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium.
What is the SMILES notation for (4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium?
The canonical SMILES for (4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium is C[S+](c1ccc(O)cc1)c1cccc2ccccc12.
What is the InChIKey of (4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium?
The InChIKey is CGAOONIFMLFGGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14OS/c1-19(15-11-9-14(18)10-12-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3/p+1.
What are the key properties of (4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium?
(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium has a molecular weight of 267.37 g/mol, XLogP of 4.21, 2 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-ylsulfanium is sourced from PubChem (CID 154141086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).