1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol

C16H20O3S — CID 106992405

IUPAC1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
SMILESCOCCOCC(O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H20O3S/c1-18-8-9-19-11-15(17)12-20-16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10,15,17H,8-9,11-12H2,1H3
InChIKeyRGGMAJABEWDGRU-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.96
Rot. Bonds8

About 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol

1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol (PubChem CID 106992405) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
PubChem CID106992405
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Name1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
SMILESCOCCOCC(O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H20O3S/c1-18-8-9-19-11-15(17)12-20-16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10,15,17H,8-9,11-12H2,1H3
InChIKeyRGGMAJABEWDGRU-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992365
1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
CID 70684265
1-(2-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992356
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
CID 101186685
1-butoxy-3-phenylsulfanylpropan-2-ol
CID 12063877
4-(2-hydroxy-3-methoxypropyl)sulfanylphenol
CID 63930264
2-methyl-3-naphthalen-2-ylsulfanylpropanoic acid
CID 43538170
1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-ol
CID 79566648
(2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 122135381
2-(methoxymethylsulfanyl)naphthalene
CID 54008940

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol (CID 106992405) is 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol is COCCOCC(O)CSc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol?
The InChIKey is RGGMAJABEWDGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3S/c1-18-8-9-19-11-15(17)12-20-16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10,15,17H,8-9,11-12H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol?
1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol has a molecular weight of 292.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 106992405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).