2-[3-(4-chlorophenyl)propylsulfonyl]ethanol

C11H15ClO3S — CID 71972664

IUPAC2-[3-(4-chlorophenyl)propylsulfonyl]ethanol
SMILESO=S(=O)(CCO)CCCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3S/c12-11-5-3-10(4-6-11)2-1-8-16(14,15)9-7-13/h3-6,13H,1-2,7-9H2
InChIKeyNBYNUKIDLCDWQN-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.68
Rot. Bonds6

About 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol

2-[3-(4-chlorophenyl)propylsulfonyl]ethanol (PubChem CID 71972664) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)propylsulfonyl]ethanol
PubChem CID71972664
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name2-[3-(4-chlorophenyl)propylsulfonyl]ethanol
SMILESO=S(=O)(CCO)CCCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3S/c12-11-5-3-10(4-6-11)2-1-8-16(14,15)9-7-13/h3-6,13H,1-2,7-9H2
InChIKeyNBYNUKIDLCDWQN-UHFFFAOYSA-N
XLogP1.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)propane-1-sulfonyl chloride
CID 23081194
3-(4-chlorophenyl)propane-1-sulfonate
CID 23047341
9-[2-(4-chlorophenyl)ethylsulfonyl]nonanoic acid
CID 70396517
2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid
CID 15612083
2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol
CID 111487786
4-[4-[4-(4-aminophenyl)butylsulfonyl]butyl]aniline
CID 70555486
(4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone
CID 54377224
1-(3-bromopropylsulfonylmethyl)-4-chlorobenzene
CID 69170163
3-[4-(4-chlorophenyl)sulfonylphenyl]propan-1-amine
CID 170878584
[4-[2-(4-chlorophenyl)ethyl]phenyl]methanol
CID 118032824
4-(4-phenylbutylsulfonyl)butylbenzene
CID 70468291
1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide
CID 139649181

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol?
The IUPAC name of 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol (CID 71972664) is 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol.
What is the SMILES notation for 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol?
The canonical SMILES for 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol is O=S(=O)(CCO)CCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol?
The InChIKey is NBYNUKIDLCDWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c12-11-5-3-10(4-6-11)2-1-8-16(14,15)9-7-13/h3-6,13H,1-2,7-9H2.
What are the key properties of 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol?
2-[3-(4-chlorophenyl)propylsulfonyl]ethanol has a molecular weight of 262.76 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)propylsulfonyl]ethanol is sourced from PubChem (CID 71972664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).