2-methoxy-5-(thian-4-yl)phenol

C12H16O2S — CID 84689296

IUPAC2-methoxy-5-(thian-4-yl)phenol
SMILESCOc1ccc(C2CCSCC2)cc1O
InChIInChI=1S/C12H16O2S/c1-14-12-3-2-10(8-11(12)13)9-4-6-15-7-5-9/h2-3,8-9,13H,4-7H2,1H3
InChIKeyUZKUUAXACKUUBL-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.01
Rot. Bonds2

About 2-methoxy-5-(thian-4-yl)phenol

2-methoxy-5-(thian-4-yl)phenol (PubChem CID 84689296) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-methoxy-5-(thian-4-yl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(thian-4-yl)phenol
PubChem CID84689296
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name2-methoxy-5-(thian-4-yl)phenol
SMILESCOc1ccc(C2CCSCC2)cc1O
InChIInChI=1S/C12H16O2S/c1-14-12-3-2-10(8-11(12)13)9-4-6-15-7-5-9/h2-3,8-9,13H,4-7H2,1H3
InChIKeyUZKUUAXACKUUBL-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-methoxy-5-(thian-4-yl)phenyl]ethanone
CID 117417969
1-[2-methoxy-5-(thian-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117472322
2-[2-methoxy-5-(thian-4-yl)phenyl]acetonitrile
CID 117371708
4-amino-4-[2-methoxy-5-(thian-4-yl)phenyl]butanoic acid
CID 117494216
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol
CID 66224901
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
2-methoxy-5-(4-methyl-1,3-thiazolidin-2-yl)phenol
CID 66218899
(3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10493415
2-methoxy-4-[(thian-4-ylmethylamino)methyl]phenol
CID 115978573
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol
CID 89146211

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(thian-4-yl)phenol?
The IUPAC name of 2-methoxy-5-(thian-4-yl)phenol (CID 84689296) is 2-methoxy-5-(thian-4-yl)phenol.
What is the SMILES notation for 2-methoxy-5-(thian-4-yl)phenol?
The canonical SMILES for 2-methoxy-5-(thian-4-yl)phenol is COc1ccc(C2CCSCC2)cc1O.
What is the InChIKey of 2-methoxy-5-(thian-4-yl)phenol?
The InChIKey is UZKUUAXACKUUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-14-12-3-2-10(8-11(12)13)9-4-6-15-7-5-9/h2-3,8-9,13H,4-7H2,1H3.
What are the key properties of 2-methoxy-5-(thian-4-yl)phenol?
2-methoxy-5-(thian-4-yl)phenol has a molecular weight of 224.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(thian-4-yl)phenol is sourced from PubChem (CID 84689296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).