2-[4-(thian-4-yloxy)phenyl]propan-1-ol

C14H20O2S — CID 117384499

IUPAC2-[4-(thian-4-yloxy)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(OC2CCSCC2)cc1
InChIInChI=1S/C14H20O2S/c1-11(10-15)12-2-4-13(5-3-12)16-14-6-8-17-9-7-14/h2-5,11,14-15H,6-10H2,1H3
InChIKeyKIXGNQFNUJFJGC-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-(thian-4-yloxy)phenyl]propan-1-ol

2-[4-(thian-4-yloxy)phenyl]propan-1-ol (PubChem CID 117384499) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[4-(thian-4-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(thian-4-yloxy)phenyl]propan-1-ol
PubChem CID117384499
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name2-[4-(thian-4-yloxy)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(OC2CCSCC2)cc1
InChIInChI=1S/C14H20O2S/c1-11(10-15)12-2-4-13(5-3-12)16-14-6-8-17-9-7-14/h2-5,11,14-15H,6-10H2,1H3
InChIKeyKIXGNQFNUJFJGC-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117424833
2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117434756
4-(4-bromophenoxy)thiane
CID 134090229
4-(4-methylsulfanylphenoxy)thiane
CID 134106830
2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349636
1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105188443
2-amino-2-[3-(thian-4-yloxy)phenyl]ethanol
CID 115005306
1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
CID 107669082
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thian-4-yloxy)phenyl]propan-1-ol?
The IUPAC name of 2-[4-(thian-4-yloxy)phenyl]propan-1-ol (CID 117384499) is 2-[4-(thian-4-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(thian-4-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 2-[4-(thian-4-yloxy)phenyl]propan-1-ol is CC(CO)c1ccc(OC2CCSCC2)cc1.
What is the InChIKey of 2-[4-(thian-4-yloxy)phenyl]propan-1-ol?
The InChIKey is KIXGNQFNUJFJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-11(10-15)12-2-4-13(5-3-12)16-14-6-8-17-9-7-14/h2-5,11,14-15H,6-10H2,1H3.
What are the key properties of 2-[4-(thian-4-yloxy)phenyl]propan-1-ol?
2-[4-(thian-4-yloxy)phenyl]propan-1-ol has a molecular weight of 252.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thian-4-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117384499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).