3-[2-(thian-3-yloxy)phenyl]propan-1-ol

C14H20O2S — CID 117384484

IUPAC3-[2-(thian-3-yloxy)phenyl]propan-1-ol
SMILESOCCCc1ccccc1OC1CCCSC1
InChIInChI=1S/C14H20O2S/c15-9-3-6-12-5-1-2-8-14(12)16-13-7-4-10-17-11-13/h1-2,5,8,13,15H,3-4,6-7,9-11H2
InChIKeyBIIDPHMJIGNYKC-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.89
Rot. Bonds5

About 3-[2-(thian-3-yloxy)phenyl]propan-1-ol

3-[2-(thian-3-yloxy)phenyl]propan-1-ol (PubChem CID 117384484) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-[2-(thian-3-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(thian-3-yloxy)phenyl]propan-1-ol
PubChem CID117384484
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name3-[2-(thian-3-yloxy)phenyl]propan-1-ol
SMILESOCCCc1ccccc1OC1CCCSC1
InChIInChI=1S/C14H20O2S/c15-9-3-6-12-5-1-2-8-14(12)16-13-7-4-10-17-11-13/h1-2,5,8,13,15H,3-4,6-7,9-11H2
InChIKeyBIIDPHMJIGNYKC-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349655
3-[2-(thian-3-yloxy)phenyl]propanoic acid
CID 117420330
4-[2-methoxy-3-(thian-3-yloxy)phenyl]butanoic acid
CID 117495420
3-[2-(1,1-dioxothietan-3-yl)oxyphenyl]propan-1-ol
CID 117394319
2-[2-(thian-3-yloxy)phenyl]piperidine
CID 117445019
3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866480
2-[2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107713283
O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426921
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117302057
3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117444984
4-[2-methoxy-3-(thiolan-3-yloxy)phenyl]butanoic acid
CID 117477685

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thian-3-yloxy)phenyl]propan-1-ol?
The IUPAC name of 3-[2-(thian-3-yloxy)phenyl]propan-1-ol (CID 117384484) is 3-[2-(thian-3-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(thian-3-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-(thian-3-yloxy)phenyl]propan-1-ol is OCCCc1ccccc1OC1CCCSC1.
What is the InChIKey of 3-[2-(thian-3-yloxy)phenyl]propan-1-ol?
The InChIKey is BIIDPHMJIGNYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c15-9-3-6-12-5-1-2-8-14(12)16-13-7-4-10-17-11-13/h1-2,5,8,13,15H,3-4,6-7,9-11H2.
What are the key properties of 3-[2-(thian-3-yloxy)phenyl]propan-1-ol?
3-[2-(thian-3-yloxy)phenyl]propan-1-ol has a molecular weight of 252.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thian-3-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117384484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).