(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone

C17H18O2S — CID 115788569

IUPAC(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C17H18O2S/c1-12(2)19-15-10-6-4-8-13(15)17(18)14-9-5-7-11-16(14)20-3/h4-12H,1-3H3
InChIKeyPERRKCKZGJZBIR-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.43
Rot. Bonds5

About (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone

(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone (PubChem CID 115788569) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
PubChem CID115788569
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C17H18O2S/c1-12(2)19-15-10-6-4-8-13(15)17(18)14-9-5-7-11-16(14)20-3/h4-12H,1-3H3
InChIKeyPERRKCKZGJZBIR-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone
CID 116597562
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-methyl-1-(2-methylsulfanylphenyl)propan-1-one
CID 19361702
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
CID 105119950
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
3-(2-acetylphenoxy)butan-2-one
CID 82312052
2-methylsulfanylbenzoate
CID 6932478

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone (CID 115788569) is (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone is CSc1ccccc1C(=O)c1ccccc1OC(C)C.
What is the InChIKey of (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is PERRKCKZGJZBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12(2)19-15-10-6-4-8-13(15)17(18)14-9-5-7-11-16(14)20-3/h4-12H,1-3H3.
What are the key properties of (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone?
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 286.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 115788569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).