1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol

C16H16ClFO5S — CID 5156098

IUPAC1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol
SMILESCOc1ccccc1S(=O)(=O)CC(O)COc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFO5S/c1-22-15-4-2-3-5-16(15)24(20,21)10-12(19)9-23-14-7-6-11(18)8-13(14)17/h2-8,12,19H,9-10H2,1H3
InChIKeyNJAJQTWTPCRFAA-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.70
Rot. Bonds7

About 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol

1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol (PubChem CID 5156098) has the molecular formula C16H16ClFO5S and a molecular weight of 374.82 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol
PubChem CID5156098
Molecular FormulaC16H16ClFO5S
Molecular Weight374.82 g/mol
Exact Mass374.04
IUPAC Name1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol
SMILESCOc1ccccc1S(=O)(=O)CC(O)COc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFO5S/c1-22-15-4-2-3-5-16(15)24(20,21)10-12(19)9-23-14-7-6-11(18)8-13(14)17/h2-8,12,19H,9-10H2,1H3
InChIKeyNJAJQTWTPCRFAA-UHFFFAOYSA-N
XLogP2.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 1485361
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345
1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol
CID 23847581
4-[(2S)-2-hydroxy-3-(2-methoxyphenyl)sulfonylpropoxy]benzonitrile
CID 1485355
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
CID 6976973
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113103026
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol (CID 5156098) is 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol is COc1ccccc1S(=O)(=O)CC(O)COc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol?
The InChIKey is NJAJQTWTPCRFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO5S/c1-22-15-4-2-3-5-16(15)24(20,21)10-12(19)9-23-14-7-6-11(18)8-13(14)17/h2-8,12,19H,9-10H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol?
1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol has a molecular weight of 374.82 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 5156098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).