1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol

C15H20Cl2O2 — CID 103452109

IUPAC1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
SMILESOC(Cc1c(Cl)cccc1Cl)C1(O)CCCCCC1
InChIInChI=1S/C15H20Cl2O2/c16-12-6-5-7-13(17)11(12)10-14(18)15(19)8-3-1-2-4-9-15/h5-7,14,18-19H,1-4,8-10H2
InChIKeyBZZOLZUHBTXGRK-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.98
Rot. Bonds3

About 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol

1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol (PubChem CID 103452109) has the molecular formula C15H20Cl2O2 and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
PubChem CID103452109
Molecular FormulaC15H20Cl2O2
Molecular Weight303.23 g/mol
Exact Mass302.08
IUPAC Name1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
SMILESOC(Cc1c(Cl)cccc1Cl)C1(O)CCCCCC1
InChIInChI=1S/C15H20Cl2O2/c16-12-6-5-7-13(17)11(12)10-14(18)15(19)8-3-1-2-4-9-15/h5-7,14,18-19H,1-4,8-10H2
InChIKeyBZZOLZUHBTXGRK-UHFFFAOYSA-N
XLogP3.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448325
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 106867637
1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451627
2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755966
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452055
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
CID 103452163
2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450231
1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol
CID 103452194
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol (CID 103452109) is 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol is OC(Cc1c(Cl)cccc1Cl)C1(O)CCCCCC1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The InChIKey is BZZOLZUHBTXGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O2/c16-12-6-5-7-13(17)11(12)10-14(18)15(19)8-3-1-2-4-9-15/h5-7,14,18-19H,1-4,8-10H2.
What are the key properties of 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol has a molecular weight of 303.23 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).