5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol

C14H22O4S — CID 65095333

IUPAC5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1cccc(OC)c1
InChIInChI=1S/C14H22O4S/c1-3-19(16,17)9-5-7-13(15)10-12-6-4-8-14(11-12)18-2/h4,6,8,11,13,15H,3,5,7,9-10H2,1-2H3
InChIKeyYIHOVYRJDGZGNP-UHFFFAOYSA-N
MW286.39 g/mol
LogP1.81
Rot. Bonds8

About 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol

5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol (PubChem CID 65095333) has the molecular formula C14H22O4S and a molecular weight of 286.39 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol
PubChem CID65095333
Molecular FormulaC14H22O4S
Molecular Weight286.39 g/mol
Exact Mass286.12
IUPAC Name5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1cccc(OC)c1
InChIInChI=1S/C14H22O4S/c1-3-19(16,17)9-5-7-13(15)10-12-6-4-8-14(11-12)18-2/h4,6,8,11,13,15H,3,5,7,9-10H2,1-2H3
InChIKeyYIHOVYRJDGZGNP-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
CID 65095282
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
1-(3-methoxyphenyl)non-8-en-2-ol
CID 107008507
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
CID 114473809
1-[2-(chloromethyl)-5-methylsulfonylpentyl]-3-methoxybenzene
CID 66048149
1,1-difluoro-3-(3-methoxyphenyl)propane-2-sulfonic acid
CID 175877382
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol
CID 65095539
tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate
CID 129406598
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol?
The IUPAC name of 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol (CID 65095333) is 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol.
What is the SMILES notation for 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol?
The canonical SMILES for 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol is CCS(=O)(=O)CCCC(O)Cc1cccc(OC)c1.
What is the InChIKey of 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol?
The InChIKey is YIHOVYRJDGZGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4S/c1-3-19(16,17)9-5-7-13(15)10-12-6-4-8-14(11-12)18-2/h4,6,8,11,13,15H,3,5,7,9-10H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol?
5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol has a molecular weight of 286.39 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol is sourced from PubChem (CID 65095333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).