3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol

C14H20O3S — CID 114080240

IUPAC3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol
SMILESCOCCOc1ccccc1C1(O)CCSC1C
InChIInChI=1S/C14H20O3S/c1-11-14(15,7-10-18-11)12-5-3-4-6-13(12)17-9-8-16-2/h3-6,11,15H,7-10H2,1-2H3
InChIKeyWTIFPIILZFHZTR-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.42
Rot. Bonds5

About 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol

3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol (PubChem CID 114080240) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol
PubChem CID114080240
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol
SMILESCOCCOc1ccccc1C1(O)CCSC1C
InChIInChI=1S/C14H20O3S/c1-11-14(15,7-10-18-11)12-5-3-4-6-13(12)17-9-8-16-2/h3-6,11,15H,7-10H2,1-2H3
InChIKeyWTIFPIILZFHZTR-UHFFFAOYSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.42
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

3-(2-methoxyphenyl)-2-methylthiolan-3-ol
CID 83823248
3-[2-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-ol
CID 113438152
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 106873761
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol
CID 124681288
3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol
CID 113438129
4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
CID 104658769
3-[2-(2-methoxyethoxy)phenyl]-1,1-dioxothiolan-3-ol
CID 104658539
1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine
CID 104659074
2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
CID 104658757
2-methyl-3-naphthalen-1-ylthian-3-ol
CID 79951974
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol?
The IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol (CID 114080240) is 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol?
The canonical SMILES for 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol is COCCOc1ccccc1C1(O)CCSC1C.
What is the InChIKey of 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol?
The InChIKey is WTIFPIILZFHZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-11-14(15,7-10-18-11)12-5-3-4-6-13(12)17-9-8-16-2/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol?
3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol has a molecular weight of 268.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol is sourced from PubChem (CID 114080240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).