1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol

C12H17FO3S — CID 106992365

IUPAC1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CSc1ccc(F)cc1
InChIInChI=1S/C12H17FO3S/c1-15-6-7-16-8-11(14)9-17-12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3
InChIKeyQKCPFWFNCQLLGU-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.94
Rot. Bonds8

About 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol

1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992365) has the molecular formula C12H17FO3S and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992365
Molecular FormulaC12H17FO3S
Molecular Weight260.33 g/mol
Exact Mass260.09
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CSc1ccc(F)cc1
InChIInChI=1S/C12H17FO3S/c1-15-6-7-16-8-11(14)9-17-12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3
InChIKeyQKCPFWFNCQLLGU-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.94
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-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 106992405
1-(2-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992356
4-(2-hydroxy-3-methoxypropyl)sulfanylphenol
CID 63930264
1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989639
4-fluoro-3-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanylbenzoic acid
CID 106988391
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
ethyl 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoate
CID 82775915
1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol
CID 107780891
1-(4-bromophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992332
2-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanylpyridine-3-carboxylic acid
CID 106988349
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
CID 16566055

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol (CID 106992365) is 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is QKCPFWFNCQLLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3S/c1-15-6-7-16-8-11(14)9-17-12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol?
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 260.33 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).