(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone

C15H20O2S — CID 80622537

IUPAC(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2CCCCS2)cc1
InChIInChI=1S/C15H20O2S/c1-11(2)17-13-8-6-12(7-9-13)15(16)14-5-3-4-10-18-14/h6-9,11,14H,3-5,10H2,1-2H3
InChIKeyOELJGZBYPZBWAD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.94
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone

(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone (PubChem CID 80622537) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
PubChem CID80622537
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2CCCCS2)cc1
InChIInChI=1S/C15H20O2S/c1-11(2)17-13-8-6-12(7-9-13)15(16)14-5-3-4-10-18-14/h6-9,11,14H,3-5,10H2,1-2H3
InChIKeyOELJGZBYPZBWAD-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dithian-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 79970623
(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114518933
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171940602
(3-ethyl-1,4-dithian-2-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115386074
cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
CID 173265927
(4-cyclobutylphenyl)-(thiolan-2-yl)methanone
CID 116505684
(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65393507
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
CID 79638659
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol
CID 80621973
2-amino-1-(thian-2-yl)propan-1-one
CID 115014219

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone?
The IUPAC name of (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone (CID 80622537) is (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone is CC(C)Oc1ccc(C(=O)C2CCCCS2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone?
The InChIKey is OELJGZBYPZBWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-11(2)17-13-8-6-12(7-9-13)15(16)14-5-3-4-10-18-14/h6-9,11,14H,3-5,10H2,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone?
(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone has a molecular weight of 264.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-(thian-2-yl)methanone is sourced from PubChem (CID 80622537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).