2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene

C23H24OS — CID 166899428

IUPAC2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene
SMILESCc1cc(-c2cccc(OCc3ccccc3)c2)ccc1SC(C)C
InChIInChI=1S/C23H24OS/c1-17(2)25-23-13-12-21(14-18(23)3)20-10-7-11-22(15-20)24-16-19-8-5-4-6-9-19/h4-15,17H,16H2,1-3H3
InChIKeyCCIMIAGEWKDVEZ-UHFFFAOYSA-N
MW348.51 g/mol
LogP6.74
Rot. Bonds6

About 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene

2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene (PubChem CID 166899428) has the molecular formula C23H24OS and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene
PubChem CID166899428
Molecular FormulaC23H24OS
Molecular Weight348.51 g/mol
Exact Mass348.15
IUPAC Name2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene
SMILESCc1cc(-c2cccc(OCc3ccccc3)c2)ccc1SC(C)C
InChIInChI=1S/C23H24OS/c1-17(2)25-23-13-12-21(14-18(23)3)20-10-7-11-22(15-20)24-16-19-8-5-4-6-9-19/h4-15,17H,16H2,1-3H3
InChIKeyCCIMIAGEWKDVEZ-UHFFFAOYSA-N
XLogP6.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.51
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine
CID 174674361
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
CID 23004910
1-ethynyl-3-methyl-5-(3-phenylmethoxyphenyl)benzene
CID 167311917
1-(methylsulfanylmethoxy)-3-phenylbenzene
CID 56983250
5-fluoro-2-methyl-4-(3-phenylmethoxyphenyl)aniline
CID 171916620
1-isocyanato-4-(3-phenylmethoxyphenyl)benzene
CID 169354799
(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 171391010
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 169372382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene?
The IUPAC name of 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene (CID 166899428) is 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene.
What is the SMILES notation for 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene?
The canonical SMILES for 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene is Cc1cc(-c2cccc(OCc3ccccc3)c2)ccc1SC(C)C.
What is the InChIKey of 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene?
The InChIKey is CCIMIAGEWKDVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24OS/c1-17(2)25-23-13-12-21(14-18(23)3)20-10-7-11-22(15-20)24-16-19-8-5-4-6-9-19/h4-15,17H,16H2,1-3H3.
What are the key properties of 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene?
2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene has a molecular weight of 348.51 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 166899428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).