(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone

C14H18O2S — CID 105119937

IUPAC(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone
SMILESCC(C)Oc1ccccc1C(=O)C1CCSC1
InChIInChI=1S/C14H18O2S/c1-10(2)16-13-6-4-3-5-12(13)14(15)11-7-8-17-9-11/h3-6,10-11H,7-9H2,1-2H3
InChIKeyGUPWSKHJYLUMPA-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.41
Rot. Bonds4

About (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone

(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone (PubChem CID 105119937) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone
PubChem CID105119937
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone
SMILESCC(C)Oc1ccccc1C(=O)C1CCSC1
InChIInChI=1S/C14H18O2S/c1-10(2)16-13-6-4-3-5-12(13)14(15)11-7-8-17-9-11/h3-6,10-11H,7-9H2,1-2H3
InChIKeyGUPWSKHJYLUMPA-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone?
The IUPAC name of (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone (CID 105119937) is (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone?
The canonical SMILES for (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone is CC(C)Oc1ccccc1C(=O)C1CCSC1.
What is the InChIKey of (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone?
The InChIKey is GUPWSKHJYLUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-10(2)16-13-6-4-3-5-12(13)14(15)11-7-8-17-9-11/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone?
(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone has a molecular weight of 250.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 105119937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).