3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol

C10H12Cl2O3S — CID 111472477

IUPAC3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol
SMILESO=S(=O)(CCCO)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2O3S/c11-9-2-3-10(12)8(6-9)7-16(14,15)5-1-4-13/h2-3,6,13H,1,4-5,7H2
InChIKeySWLOPDQZPPAZPT-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.29
Rot. Bonds5

About 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol

3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol (PubChem CID 111472477) has the molecular formula C10H12Cl2O3S and a molecular weight of 283.18 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol
PubChem CID111472477
Molecular FormulaC10H12Cl2O3S
Molecular Weight283.18 g/mol
Exact Mass281.99
IUPAC Name3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol
SMILESO=S(=O)(CCCO)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2O3S/c11-9-2-3-10(12)8(6-9)7-16(14,15)5-1-4-13/h2-3,6,13H,1,4-5,7H2
InChIKeySWLOPDQZPPAZPT-UHFFFAOYSA-N
XLogP2.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727
3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol
CID 82181903
4-(2,5-dichlorophenyl)butan-1-ol
CID 65316386
3-[(2-chloro-4-methoxyphenyl)methylsulfonyl]propan-1-ol
CID 111969329
2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol
CID 60563014
5-[(4-chloro-2-fluorophenyl)methylsulfonyl]pentanoic acid
CID 117098093
1,4-dichloro-2-[(4-methylphenyl)sulfonylmethyl]benzene
CID 173074233
3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374971
5-[(2-chloro-6-fluorophenyl)methylsulfonyl]pentan-1-ol
CID 110911844
5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
CID 11543297
(2S)-3-[(2,4-dichlorophenyl)methylsulfonyl]propane-1,2-diol
CID 95973022
5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol
CID 111104870

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol?
The IUPAC name of 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol (CID 111472477) is 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol is O=S(=O)(CCCO)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol?
The InChIKey is SWLOPDQZPPAZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3S/c11-9-2-3-10(12)8(6-9)7-16(14,15)5-1-4-13/h2-3,6,13H,1,4-5,7H2.
What are the key properties of 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol?
3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol has a molecular weight of 283.18 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol is sourced from PubChem (CID 111472477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).