(2-methoxyphenyl)-(thiolan-3-yl)methanol

C12H16O2S — CID 105078522

IUPAC(2-methoxyphenyl)-(thiolan-3-yl)methanol
SMILESCOc1ccccc1C(O)C1CCSC1
InChIInChI=1S/C12H16O2S/c1-14-11-5-3-2-4-10(11)12(13)9-6-7-15-8-9/h2-5,9,12-13H,6-8H2,1H3
InChIKeyUUSQEPOIXMGWKH-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.48
Rot. Bonds3

About (2-methoxyphenyl)-(thiolan-3-yl)methanol

(2-methoxyphenyl)-(thiolan-3-yl)methanol (PubChem CID 105078522) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is (2-methoxyphenyl)-(thiolan-3-yl)methanol.

Molecular Properties

Compound Name(2-methoxyphenyl)-(thiolan-3-yl)methanol
PubChem CID105078522
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name(2-methoxyphenyl)-(thiolan-3-yl)methanol
SMILESCOc1ccccc1C(O)C1CCSC1
InChIInChI=1S/C12H16O2S/c1-14-11-5-3-2-4-10(11)12(13)9-6-7-15-8-9/h2-5,9,12-13H,6-8H2,1H3
InChIKeyUUSQEPOIXMGWKH-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043
2-[hydroxy(thiolan-3-yl)methyl]phenol
CID 115027036
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105499558
2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
CID 117237270
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105111122
thiolan-3-yl-(2,4,5-trimethylphenyl)methanol
CID 105103601
(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
CID 105484688
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(thiolan-3-yl)methanol?
The IUPAC name of (2-methoxyphenyl)-(thiolan-3-yl)methanol (CID 105078522) is (2-methoxyphenyl)-(thiolan-3-yl)methanol.
What is the SMILES notation for (2-methoxyphenyl)-(thiolan-3-yl)methanol?
The canonical SMILES for (2-methoxyphenyl)-(thiolan-3-yl)methanol is COc1ccccc1C(O)C1CCSC1.
What is the InChIKey of (2-methoxyphenyl)-(thiolan-3-yl)methanol?
The InChIKey is UUSQEPOIXMGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-14-11-5-3-2-4-10(11)12(13)9-6-7-15-8-9/h2-5,9,12-13H,6-8H2,1H3.
What are the key properties of (2-methoxyphenyl)-(thiolan-3-yl)methanol?
(2-methoxyphenyl)-(thiolan-3-yl)methanol has a molecular weight of 224.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(thiolan-3-yl)methanol is sourced from PubChem (CID 105078522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).