oxan-4-yl-phenyl-thiophen-2-ylmethanol

C16H18O2S — CID 127053133

IUPACoxan-4-yl-phenyl-thiophen-2-ylmethanol
SMILESOC(c1ccccc1)(c1cccs1)C1CCOCC1
InChIInChI=1S/C16H18O2S/c17-16(15-7-4-12-19-15,13-5-2-1-3-6-13)14-8-10-18-11-9-14/h1-7,12,14,17H,8-11H2
InChIKeyYWAVNXHJYMEORO-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.41
Rot. Bonds3

About oxan-4-yl-phenyl-thiophen-2-ylmethanol

oxan-4-yl-phenyl-thiophen-2-ylmethanol (PubChem CID 127053133) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is oxan-4-yl-phenyl-thiophen-2-ylmethanol.

Molecular Properties

Compound Nameoxan-4-yl-phenyl-thiophen-2-ylmethanol
PubChem CID127053133
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Nameoxan-4-yl-phenyl-thiophen-2-ylmethanol
SMILESOC(c1ccccc1)(c1cccs1)C1CCOCC1
InChIInChI=1S/C16H18O2S/c17-16(15-7-4-12-19-15,13-5-2-1-3-6-13)14-8-10-18-11-9-14/h1-7,12,14,17H,8-11H2
InChIKeyYWAVNXHJYMEORO-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-phenyl-thiophen-2-ylmethanol?
The IUPAC name of oxan-4-yl-phenyl-thiophen-2-ylmethanol (CID 127053133) is oxan-4-yl-phenyl-thiophen-2-ylmethanol.
What is the SMILES notation for oxan-4-yl-phenyl-thiophen-2-ylmethanol?
The canonical SMILES for oxan-4-yl-phenyl-thiophen-2-ylmethanol is OC(c1ccccc1)(c1cccs1)C1CCOCC1.
What is the InChIKey of oxan-4-yl-phenyl-thiophen-2-ylmethanol?
The InChIKey is YWAVNXHJYMEORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c17-16(15-7-4-12-19-15,13-5-2-1-3-6-13)14-8-10-18-11-9-14/h1-7,12,14,17H,8-11H2.
What are the key properties of oxan-4-yl-phenyl-thiophen-2-ylmethanol?
oxan-4-yl-phenyl-thiophen-2-ylmethanol has a molecular weight of 274.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-phenyl-thiophen-2-ylmethanol is sourced from PubChem (CID 127053133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).