(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol

C12H17FO2S — CID 63855818

IUPAC(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol
SMILESCOCCCSc1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C12H17FO2S/c1-9(14)12-10(13)5-3-6-11(12)16-8-4-7-15-2/h3,5-6,9,14H,4,7-8H2,1-2H3/t9-/m1/s1
InChIKeyMQFMWIJVRRUAAK-SECBINFHSA-N
MW244.33 g/mol
LogP3.01
Rot. Bonds6

About (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol

(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol (PubChem CID 63855818) has the molecular formula C12H17FO2S and a molecular weight of 244.33 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol
PubChem CID63855818
Molecular FormulaC12H17FO2S
Molecular Weight244.33 g/mol
Exact Mass244.09
IUPAC Name(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol
SMILESCOCCCSc1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C12H17FO2S/c1-9(14)12-10(13)5-3-6-11(12)16-8-4-7-15-2/h3,5-6,9,14H,4,7-8H2,1-2H3/t9-/m1/s1
InChIKeyMQFMWIJVRRUAAK-SECBINFHSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol (CID 63855818) is (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol is COCCCSc1cccc(F)c1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol?
The InChIKey is MQFMWIJVRRUAAK-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FO2S/c1-9(14)12-10(13)5-3-6-11(12)16-8-4-7-15-2/h3,5-6,9,14H,4,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol?
(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol has a molecular weight of 244.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63855818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).