(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone

C16H16O4S — CID 43338379

IUPAC(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C16H16O4S/c1-3-20-14-9-7-12(8-10-14)16(17)13-5-4-6-15(11-13)21(2,18)19/h4-11H,3H2,1-2H3
InChIKeyMDUKAFMNNGPDCC-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.72
Rot. Bonds5

About (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone

(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone (PubChem CID 43338379) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
PubChem CID43338379
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C16H16O4S/c1-3-20-14-9-7-12(8-10-14)16(17)13-5-4-6-15(11-13)21(2,18)19/h4-11H,3H2,1-2H3
InChIKeyMDUKAFMNNGPDCC-UHFFFAOYSA-N
XLogP2.72
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7744622
butyl 3-methylsulfonylbenzenecarboperoxoate
CID 174501040
(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 79735532
(5-methoxy-3-pyridinyl)-(3-methylsulfonylphenyl)methanone
CID 115793456
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
(3-methylsulfonylbenzoyl)azanium
CID 163693398
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
1-(3-methylsulfonylphenyl)butan-1-one
CID 83957439

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone (CID 43338379) is (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone is CCOc1ccc(C(=O)c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone?
The InChIKey is MDUKAFMNNGPDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c1-3-20-14-9-7-12(8-10-14)16(17)13-5-4-6-15(11-13)21(2,18)19/h4-11H,3H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone?
(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone has a molecular weight of 304.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 43338379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).