2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol

C14H20O2S — CID 177392077

IUPAC2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol
SMILESCC(C)(C)OC1=C(c2cccs2)CCCC1O
InChIInChI=1S/C14H20O2S/c1-14(2,3)16-13-10(6-4-7-11(13)15)12-8-5-9-17-12/h5,8-9,11,15H,4,6-7H2,1-3H3
InChIKeyYWPVOIMDHSQZMD-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.82
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol

2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol (PubChem CID 177392077) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol
PubChem CID177392077
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol
SMILESCC(C)(C)OC1=C(c2cccs2)CCCC1O
InChIInChI=1S/C14H20O2S/c1-14(2,3)16-13-10(6-4-7-11(13)15)12-8-5-9-17-12/h5,8-9,11,15H,4,6-7H2,1-3H3
InChIKeyYWPVOIMDHSQZMD-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol (CID 177392077) is 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol is CC(C)(C)OC1=C(c2cccs2)CCCC1O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol?
The InChIKey is YWPVOIMDHSQZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-14(2,3)16-13-10(6-4-7-11(13)15)12-8-5-9-17-12/h5,8-9,11,15H,4,6-7H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol?
2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol has a molecular weight of 252.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 177392077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).