1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol

C15H20Cl2O — CID 65399864

IUPAC1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1CCCCCC1
InChIInChI=1S/C15H20Cl2O/c16-13-7-8-14(17)12(9-13)10-15(18)11-5-3-1-2-4-6-11/h7-9,11,15,18H,1-6,10H2
InChIKeySERJVQKYMHIFLE-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.87
Rot. Bonds3

About 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol

1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol (PubChem CID 65399864) has the molecular formula C15H20Cl2O and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
PubChem CID65399864
Molecular FormulaC15H20Cl2O
Molecular Weight287.23 g/mol
Exact Mass286.09
IUPAC Name1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1CCCCCC1
InChIInChI=1S/C15H20Cl2O/c16-13-7-8-14(17)12(9-13)10-15(18)11-5-3-1-2-4-6-11/h7-9,11,15,18H,1-6,10H2
InChIKeySERJVQKYMHIFLE-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326
2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940
2-(2,5-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336404
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine
CID 112569673
2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
CID 80622903
1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol
CID 64515130
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol (CID 65399864) is 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is SERJVQKYMHIFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O/c16-13-7-8-14(17)12(9-13)10-15(18)11-5-3-1-2-4-6-11/h7-9,11,15,18H,1-6,10H2.
What are the key properties of 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol?
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 287.23 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 65399864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).