(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol

C14H22O4S — CID 65098384

IUPAC(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1OCCCS(=O)(=O)CC
InChIInChI=1S/C14H22O4S/c1-3-13(15)12-8-5-6-9-14(12)18-10-7-11-19(16,17)4-2/h5-6,8-9,13,15H,3-4,7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyTVNLBNPNOLCKHO-CYBMUJFWSA-N
MW286.39 g/mol
LogP2.33
Rot. Bonds8

About (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol

(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol (PubChem CID 65098384) has the molecular formula C14H22O4S and a molecular weight of 286.39 g/mol. Its IUPAC name is (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
PubChem CID65098384
Molecular FormulaC14H22O4S
Molecular Weight286.39 g/mol
Exact Mass286.12
IUPAC Name(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1OCCCS(=O)(=O)CC
InChIInChI=1S/C14H22O4S/c1-3-13(15)12-8-5-6-9-14(12)18-10-7-11-19(16,17)4-2/h5-6,8-9,13,15H,3-4,7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyTVNLBNPNOLCKHO-CYBMUJFWSA-N
XLogP2.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide
CID 55189164
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 54879106
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
6-[2-[(1R)-1-hydroxypropyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106712954

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol (CID 65098384) is (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1OCCCS(=O)(=O)CC.
What is the InChIKey of (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol?
The InChIKey is TVNLBNPNOLCKHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22O4S/c1-3-13(15)12-8-5-6-9-14(12)18-10-7-11-19(16,17)4-2/h5-6,8-9,13,15H,3-4,7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol?
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol has a molecular weight of 286.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 65098384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).