1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone

C19H22O2S — CID 82051831

IUPAC1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone
SMILESCc1ccc(OCc2ccccc2)c(C(=O)CSC(C)C)c1
InChIInChI=1S/C19H22O2S/c1-14(2)22-13-18(20)17-11-15(3)9-10-19(17)21-12-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3
InChIKeyPZZGFAJCDZSMBD-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.90
Rot. Bonds7

About 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone

1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone (PubChem CID 82051831) has the molecular formula C19H22O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone
PubChem CID82051831
Molecular FormulaC19H22O2S
Molecular Weight314.45 g/mol
Exact Mass314.13
IUPAC Name1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone
SMILESCc1ccc(OCc2ccccc2)c(C(=O)CSC(C)C)c1
InChIInChI=1S/C19H22O2S/c1-14(2)22-13-18(20)17-11-15(3)9-10-19(17)21-12-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3
InChIKeyPZZGFAJCDZSMBD-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-2-(2-methylpropoxy)phenyl]-2-propan-2-ylsulfanylethanone
CID 82052022
2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 82051856
1-[4-[(3-methylphenyl)methoxy]phenyl]-2-propan-2-ylsulfanylethanone
CID 82051791
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobutanoic acid
CID 82051889
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone
CID 82051875
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone
CID 82053698
3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one
CID 82051895
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone?
The IUPAC name of 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone (CID 82051831) is 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone.
What is the SMILES notation for 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone?
The canonical SMILES for 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone is Cc1ccc(OCc2ccccc2)c(C(=O)CSC(C)C)c1.
What is the InChIKey of 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone?
The InChIKey is PZZGFAJCDZSMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2S/c1-14(2)22-13-18(20)17-11-15(3)9-10-19(17)21-12-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone?
1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone has a molecular weight of 314.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenylmethoxyphenyl)-2-propan-2-ylsulfanylethanone is sourced from PubChem (CID 82051831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).