(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone

C15H14O4S — CID 114962795

IUPAC(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H14O4S/c1-19-14-6-4-3-5-13(14)15(16)11-7-9-12(10-8-11)20(2,17)18/h3-10H,1-2H3
InChIKeyJTQKDKVLFUCLTR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.33
Rot. Bonds4

About (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone

(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone (PubChem CID 114962795) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
PubChem CID114962795
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H14O4S/c1-19-14-6-4-3-5-13(14)15(16)11-7-9-12(10-8-11)20(2,17)18/h3-10H,1-2H3
InChIKeyJTQKDKVLFUCLTR-UHFFFAOYSA-N
XLogP2.33
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
CID 10614468
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 43339877
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968498
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
2-methoxy-4-(2-methoxybenzoyl)benzaldehyde
CID 10825897
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 43337472
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone (CID 114962795) is (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone is COc1ccccc1C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is JTQKDKVLFUCLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-19-14-6-4-3-5-13(14)15(16)11-7-9-12(10-8-11)20(2,17)18/h3-10H,1-2H3.
What are the key properties of (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone?
(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 290.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 114962795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).