1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol

C15H16Cl2OS — CID 105100465

IUPAC1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2OS/c16-12-6-7-15(17)11(9-12)10-13(18)3-1-4-14-5-2-8-19-14/h2,5-9,13,18H,1,3-4,10H2
InChIKeyZYYPSBRRHFURRB-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.98
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol

1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol (PubChem CID 105100465) has the molecular formula C15H16Cl2OS and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
PubChem CID105100465
Molecular FormulaC15H16Cl2OS
Molecular Weight315.26 g/mol
Exact Mass314.03
IUPAC Name1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2OS/c16-12-6-7-15(17)11(9-12)10-13(18)3-1-4-14-5-2-8-19-14/h2,5-9,13,18H,1,3-4,10H2
InChIKeyZYYPSBRRHFURRB-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 63520188
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105086949
1-(4-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 107894455
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105151513
1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 102867600
1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
CID 105123144
1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
CID 66460697
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080
2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine
CID 65321861
7-thiophen-2-ylhept-1-en-4-ol
CID 105081719

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol (CID 105100465) is 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol is OC(CCCc1cccs1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol?
The InChIKey is ZYYPSBRRHFURRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2OS/c16-12-6-7-15(17)11(9-12)10-13(18)3-1-4-14-5-2-8-19-14/h2,5-9,13,18H,1,3-4,10H2.
What are the key properties of 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol?
1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol has a molecular weight of 315.26 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 105100465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).