1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol

C11H14Cl2OS — CID 114496192

IUPAC1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCCC(C)(O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2OS/c1-3-11(2,14)7-15-10-6-8(12)4-5-9(10)13/h4-6,14H,3,7H2,1-2H3
InChIKeyZERWVDRFRDEEDR-UHFFFAOYSA-N
MW265.20 g/mol
LogP4.25
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol

1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol (PubChem CID 114496192) has the molecular formula C11H14Cl2OS and a molecular weight of 265.20 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol
PubChem CID114496192
Molecular FormulaC11H14Cl2OS
Molecular Weight265.20 g/mol
Exact Mass264.01
IUPAC Name1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCCC(C)(O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2OS/c1-3-11(2,14)7-15-10-6-8(12)4-5-9(10)13/h4-6,14H,3,7H2,1-2H3
InChIKeyZERWVDRFRDEEDR-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol
CID 114496170
2-[2-(bromomethyl)-2-propylpentyl]sulfanyl-1,4-dichlorobenzene
CID 65006092
4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol
CID 22763000
ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
CID 63466916
ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate
CID 63466915
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
CID 64814242
N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 5155672
1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
CID 65106659
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
2-cyclopropyl-3-(2,5-dichlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 63907606
1-chloro-2-ethylsulfanyl-4-methylbenzene
CID 91876402

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol (CID 114496192) is 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol is CCC(C)(O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol?
The InChIKey is ZERWVDRFRDEEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2OS/c1-3-11(2,14)7-15-10-6-8(12)4-5-9(10)13/h4-6,14H,3,7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol?
1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol has a molecular weight of 265.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 114496192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).