4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol

C15H18O3S — CID 112596118

IUPAC4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
SMILESCOCCOCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C15H18O3S/c1-17-8-9-18-10-11-19-15-7-6-14(16)12-4-2-3-5-13(12)15/h2-7,16H,8-11H2,1H3
InChIKeyYTSIQRNTASYZSP-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.30
Rot. Bonds7

About 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol

4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol (PubChem CID 112596118) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
PubChem CID112596118
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
SMILESCOCCOCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C15H18O3S/c1-17-8-9-18-10-11-19-15-7-6-14(16)12-4-2-3-5-13(12)15/h2-7,16H,8-11H2,1H3
InChIKeyYTSIQRNTASYZSP-UHFFFAOYSA-N
XLogP3.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol (CID 112596118) is 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol is COCCOCCSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol?
The InChIKey is YTSIQRNTASYZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c1-17-8-9-18-10-11-19-15-7-6-14(16)12-4-2-3-5-13(12)15/h2-7,16H,8-11H2,1H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol?
4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol has a molecular weight of 278.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 112596118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).