3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol

C10H12Cl2O3S — CID 82181903

IUPAC3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol
SMILESO=S(=O)(CCCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O3S/c11-9-3-2-8(6-10(9)12)7-16(14,15)5-1-4-13/h2-3,6,13H,1,4-5,7H2
InChIKeyNIHQXVGIQVHFDL-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.29
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol

3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol (PubChem CID 82181903) has the molecular formula C10H12Cl2O3S and a molecular weight of 283.18 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol
PubChem CID82181903
Molecular FormulaC10H12Cl2O3S
Molecular Weight283.18 g/mol
Exact Mass281.99
IUPAC Name3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol
SMILESO=S(=O)(CCCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O3S/c11-9-3-2-8(6-10(9)12)7-16(14,15)5-1-4-13/h2-3,6,13H,1,4-5,7H2
InChIKeyNIHQXVGIQVHFDL-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

3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol
CID 111472477
2-[(3,4-dichlorophenyl)methylsulfonyl]acetic acid
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CID 47206500
4-(3-hydroxypropylsulfonylmethyl)benzoic acid
CID 82181897
2-[1-[(3,4-dichlorophenyl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65443709
3-[(2-chloro-4-methoxyphenyl)methylsulfonyl]propan-1-ol
CID 111969329
4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615
2-chloro-4-(ethylsulfonylmethyl)-1-methylbenzene
CID 167629819
2-(3,4-dichlorophenyl)ethanesulfonamide
CID 112639856
5-[(3,4-dichlorophenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63943575
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
1-(3-bromopropylsulfonylmethyl)-4-chlorobenzene
CID 69170163

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol (CID 82181903) is 3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol is O=S(=O)(CCCO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol?
The InChIKey is NIHQXVGIQVHFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3S/c11-9-3-2-8(6-10(9)12)7-16(14,15)5-1-4-13/h2-3,6,13H,1,4-5,7H2.
What are the key properties of 3-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol?
3-[(3,4-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-[(3,4-dichlorophenyl)methylsulfonyl]propan-1-ol is sourced from PubChem (CID 82181903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).