(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol

C12H15FO2S — CID 82769769

IUPAC(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
SMILESCOc1ccc(F)cc1C(O)C1CCCS1
InChIInChI=1S/C12H15FO2S/c1-15-10-5-4-8(13)7-9(10)12(14)11-3-2-6-16-11/h4-5,7,11-12,14H,2-3,6H2,1H3
InChIKeyWJNJYNFWJXFGFI-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.76
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol

(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol (PubChem CID 82769769) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
PubChem CID82769769
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
SMILESCOc1ccc(F)cc1C(O)C1CCCS1
InChIInChI=1S/C12H15FO2S/c1-15-10-5-4-8(13)7-9(10)12(14)11-3-2-6-16-11/h4-5,7,11-12,14H,2-3,6H2,1H3
InChIKeyWJNJYNFWJXFGFI-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 82768915
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol
CID 80622075
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82769611
(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763340
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine
CID 102671616
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 63426635

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol (CID 82769769) is (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol is COc1ccc(F)cc1C(O)C1CCCS1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol?
The InChIKey is WJNJYNFWJXFGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-15-10-5-4-8(13)7-9(10)12(14)11-3-2-6-16-11/h4-5,7,11-12,14H,2-3,6H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol?
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol has a molecular weight of 242.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol is sourced from PubChem (CID 82769769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).