5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol

C10H16O2S — CID 123645413

IUPAC5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol
SMILESCS(=O)CCCC1=CC=CC(O)C1
InChIInChI=1S/C10H16O2S/c1-13(12)7-3-5-9-4-2-6-10(11)8-9/h2,4,6,10-11H,3,5,7-8H2,1H3
InChIKeyLUTVHVPXKBYWNZ-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.39
Rot. Bonds4

About 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol

5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol (PubChem CID 123645413) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol
PubChem CID123645413
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol
SMILESCS(=O)CCCC1=CC=CC(O)C1
InChIInChI=1S/C10H16O2S/c1-13(12)7-3-5-9-4-2-6-10(11)8-9/h2,4,6,10-11H,3,5,7-8H2,1H3
InChIKeyLUTVHVPXKBYWNZ-UHFFFAOYSA-N
XLogP1.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-3-(R-methylsulfinylmethyl)cyclohexa-3,5-diene-1,2-diol
CID 11769286
1-Cyclohexa-1,3-dien-1-yl-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 123682573
2-Methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 141287824
(1S,2R)-3-[(trimethyl-lambda4-sulfanyl)methyl]cyclohexa-3,5-diene-1,2-diol
CID 142838400
6-(Octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 150618855
2-Methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 175018694
3-[(Methanesulfinyl)methyl]cyclohexa-3,5-diene-1,2-diol
CID 5231829
(1S,2R)-3-[[(S)-propylsulfinyl]methyl]cyclohexa-3,5-diene-1,2-diol
CID 11009363
(1S,2R)-3-[[(S)-ethylsulfinyl]methyl]cyclohexa-3,5-diene-1,2-diol
CID 11084897
(1S,2R)-3-[[(S)-methylsulfinyl]methyl]cyclohexa-3,5-diene-1,2-diol
CID 11095364
(1S,2R)-3-[[(R)-ethylsulfinyl]methyl]cyclohexa-3,5-diene-1,2-diol
CID 11117110
(1S,2R)-3-[[(R)-propylsulfinyl]methyl]cyclohexa-3,5-diene-1,2-diol
CID 11127677

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol (CID 123645413) is 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol is CS(=O)CCCC1=CC=CC(O)C1.
What is the InChIKey of 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is LUTVHVPXKBYWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-13(12)7-3-5-9-4-2-6-10(11)8-9/h2,4,6,10-11H,3,5,7-8H2,1H3.
What are the key properties of 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol?
5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 200.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfinylpropyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123645413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).