2-(hydroxysulfanylmethyl)-1-methoxynaphthalene

C12H12O2S — CID 166953563

IUPAC2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
SMILESCOc1c(CSO)ccc2ccccc12
InChIInChI=1S/C12H12O2S/c1-14-12-10(8-15-13)7-6-9-4-2-3-5-11(9)12/h2-7,13H,8H2,1H3
InChIKeyGNIUZPUZDJQUTR-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.55
Rot. Bonds3

About 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene

2-(hydroxysulfanylmethyl)-1-methoxynaphthalene (PubChem CID 166953563) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene.

Molecular Properties

Compound Name2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
PubChem CID166953563
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
SMILESCOc1c(CSO)ccc2ccccc12
InChIInChI=1S/C12H12O2S/c1-14-12-10(8-15-13)7-6-9-4-2-3-5-11(9)12/h2-7,13H,8H2,1H3
InChIKeyGNIUZPUZDJQUTR-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-2-propylnaphthalene
CID 19091368
1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
CID 15852631
2-benzyl-1-methoxynaphthalene
CID 15617899
2-(4-chlorobutyl)-1-methoxynaphthalene
CID 15617937
3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
CID 14472243
sodium 1-methoxynaphthalen-2-olate
CID 139799062
(1-methoxynaphthalen-2-yl)-trimethylsilane
CID 15173794
2-tert-butyl-1-methoxynaphthalene
CID 169287795
2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride
CID 59532605
methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate
CID 19877612

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene?
The IUPAC name of 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene (CID 166953563) is 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene.
What is the SMILES notation for 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene?
The canonical SMILES for 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene is COc1c(CSO)ccc2ccccc12.
What is the InChIKey of 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene?
The InChIKey is GNIUZPUZDJQUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-14-12-10(8-15-13)7-6-9-4-2-3-5-11(9)12/h2-7,13H,8H2,1H3.
What are the key properties of 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene?
2-(hydroxysulfanylmethyl)-1-methoxynaphthalene has a molecular weight of 220.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxysulfanylmethyl)-1-methoxynaphthalene is sourced from PubChem (CID 166953563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).