1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one

C19H22O3S — CID 70658547

IUPAC1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one
SMILESCCOc1ccc(SCC(=O)COc2ccc(C)cc2)cc1C
InChIInChI=1S/C19H22O3S/c1-4-21-19-10-9-18(11-15(19)3)23-13-16(20)12-22-17-7-5-14(2)6-8-17/h5-11H,4,12-13H2,1-3H3
InChIKeyVTGNMZIAWXJINX-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.44
Rot. Bonds8

About 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one

1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one (PubChem CID 70658547) has the molecular formula C19H22O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one
PubChem CID70658547
Molecular FormulaC19H22O3S
Molecular Weight330.45 g/mol
Exact Mass330.13
IUPAC Name1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one
SMILESCCOc1ccc(SCC(=O)COc2ccc(C)cc2)cc1C
InChIInChI=1S/C19H22O3S/c1-4-21-19-10-9-18(11-15(19)3)23-13-16(20)12-22-17-7-5-14(2)6-8-17/h5-11H,4,12-13H2,1-3H3
InChIKeyVTGNMZIAWXJINX-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 86845710
ethyl 4-(3,4-dimethylphenyl)sulfanyl-3-oxobutanoate
CID 60644018
ethyl [2-methyl-4-[2-(phenoxymethyl)prop-2-enylsulfanyl]phenyl] carbonate
CID 59141105
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
1-(4-ethoxy-3-methylphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 116855436
1,8-bis(4-methylphenoxy)octane-2,7-dione
CID 139326266
ethyl 2-[2-methyl-4-[(Z)-3-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]prop-2-enyl]sulfanylphenoxy]acetate
CID 67374887
2-[4-[4-methoxy-2-[(4-methylphenoxy)methyl]butyl]sulfanyl-2-methylphenoxy]acetic acid
CID 70967247
2-[4-[2-[[4-(dimethylamino)phenoxy]methyl]prop-2-enylsulfanyl]-2-methylphenoxy]ethyl acetate
CID 174510220
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one (CID 70658547) is 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one is CCOc1ccc(SCC(=O)COc2ccc(C)cc2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one?
The InChIKey is VTGNMZIAWXJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3S/c1-4-21-19-10-9-18(11-15(19)3)23-13-16(20)12-22-17-7-5-14(2)6-8-17/h5-11H,4,12-13H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one?
1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one has a molecular weight of 330.45 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one is sourced from PubChem (CID 70658547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).