1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone

C17H16F2O3S — CID 55463619

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
SMILESCCOc1ccc(SCC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H16F2O3S/c1-2-21-13-7-9-15(10-8-13)23-11-16(20)12-3-5-14(6-4-12)22-17(18)19/h3-10,17H,2,11H2,1H3
InChIKeyOETWAJSHOCNVGD-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.66
Rot. Bonds8

About 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone

1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone (PubChem CID 55463619) has the molecular formula C17H16F2O3S and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
PubChem CID55463619
Molecular FormulaC17H16F2O3S
Molecular Weight338.38 g/mol
Exact Mass338.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
SMILESCCOc1ccc(SCC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H16F2O3S/c1-2-21-13-7-9-15(10-8-13)23-11-16(20)12-3-5-14(6-4-12)22-17(18)19/h3-10,17H,2,11H2,1H3
InChIKeyOETWAJSHOCNVGD-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(4-propan-2-yloxyphenyl)ethanone
CID 66054282
1-(4-ethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412755
1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 55393499
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 86912273
propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate
CID 55664888
1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519
1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 78766338
4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
CID 112781068
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone (CID 55463619) is 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone is CCOc1ccc(SCC(=O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone?
The InChIKey is OETWAJSHOCNVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3S/c1-2-21-13-7-9-15(10-8-13)23-11-16(20)12-3-5-14(6-4-12)22-17(18)19/h3-10,17H,2,11H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone?
1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone has a molecular weight of 338.38 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone is sourced from PubChem (CID 55463619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).