4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol

C15H22O3S — CID 65095235

IUPAC4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H22O3S/c1-2-19(17,18)12-6-9-14(16)15(10-11-15)13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3
InChIKeyROOMBAGXLRNOCB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.29
Rot. Bonds7

About 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol

4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol (PubChem CID 65095235) has the molecular formula C15H22O3S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol
PubChem CID65095235
Molecular FormulaC15H22O3S
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H22O3S/c1-2-19(17,18)12-6-9-14(16)15(10-11-15)13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3
InChIKeyROOMBAGXLRNOCB-UHFFFAOYSA-N
XLogP2.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55187170
1-(4-phenyloxan-4-yl)pentan-1-ol
CID 63083062
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CID 114992024
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
3-phenyl-1-(1-phenylcyclobutyl)propan-1-ol
CID 63078442
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine
CID 63192049
4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
CID 65167277
1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol
CID 65410771
1-ethylsulfonyl-6-phenylheptan-4-ol
CID 65150364
1-(1-phenylcyclopentyl)hex-4-yn-1-ol
CID 104803772
1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63079128

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol (CID 65095235) is 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol is CCS(=O)(=O)CCCC(O)C1(c2ccccc2)CC1.
What is the InChIKey of 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol?
The InChIKey is ROOMBAGXLRNOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-2-19(17,18)12-6-9-14(16)15(10-11-15)13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol?
4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol has a molecular weight of 282.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol is sourced from PubChem (CID 65095235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).