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

C18H17ClOS — CID 157295509

IUPAC(4-hydroxyphenyl)methyl-(naphthalen-1-ylmethyl)sulfanium chloride
SMILESOc1ccc(C[SH+]Cc2cccc3ccccc23)cc1.[Cl-]
InChIInChI=1S/C18H16OS.ClH/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16;/h1-11,19H,12-13H2;1H
InChIKeyBBHLFWFEKZUFCK-UHFFFAOYSA-N
MW316.85 g/mol
LogP1.06
Rot. Bonds4

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

(4-hydroxyphenyl)methyl-(naphthalen-1-ylmethyl)sulfanium chloride (PubChem CID 157295509) 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 CID157295509
Molecular FormulaC18H17ClOS
Molecular Weight316.85 g/mol
Exact Mass316.07
IUPAC Name(4-hydroxyphenyl)methyl-(naphthalen-1-ylmethyl)sulfanium chloride
SMILESOc1ccc(C[SH+]Cc2cccc3ccccc23)cc1.[Cl-]
InChIInChI=1S/C18H16OS.ClH/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16;/h1-11,19H,12-13H2;1H
InChIKeyBBHLFWFEKZUFCK-UHFFFAOYSA-N
XLogP1.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride
CID 18959076
4-(naphthalen-1-ylmethylamino)phenol
CID 918435
4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
CID 129056722
5-(naphthalen-1-ylmethyl)benzene-1,3-diol
CID 10658318
N-(naphthalen-1-ylmethyl)-N-phenylhydroxylamine
CID 15217720
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
CID 66760372
CID 66760372
bis(naphthalen-1-ol);zirconium(2+);dichloride
CID 21243616
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
CID 19969039
4-[(isoquinolin-4-ylmethylamino)methyl]phenol
CID 115748371

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 157295509) 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 Oc1ccc(C[SH+]Cc2cccc3ccccc23)cc1.[Cl-].
What is the InChIKey of (4-hydroxyphenyl)methyl-(naphthalen-1-ylmethyl)sulfanium chloride?
The InChIKey is BBHLFWFEKZUFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS.ClH/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16;/h1-11,19H,12-13H2;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 1.06, 4 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 157295509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).