2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol

C17H24Cl2O — CID 65423546

IUPAC2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H24Cl2O/c1-11(2)12-6-8-13(9-7-12)17(20)10-14-15(18)4-3-5-16(14)19/h3-5,11-13,17,20H,6-10H2,1-2H3
InChIKeyRFQXKSRGUDORFU-UHFFFAOYSA-N
MW315.28 g/mol
LogP5.36
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol

2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol (PubChem CID 65423546) has the molecular formula C17H24Cl2O and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
PubChem CID65423546
Molecular FormulaC17H24Cl2O
Molecular Weight315.28 g/mol
Exact Mass314.12
IUPAC Name2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H24Cl2O/c1-11(2)12-6-8-13(9-7-12)17(20)10-14-15(18)4-3-5-16(14)19/h3-5,11-13,17,20H,6-10H2,1-2H3
InChIKeyRFQXKSRGUDORFU-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.28
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
CID 103456938
1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025336
2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 114854696
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
CID 82802497
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331137
1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene
CID 55191506

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol (CID 65423546) is 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol is CC(C)C1CCC(C(O)Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The InChIKey is RFQXKSRGUDORFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2O/c1-11(2)12-6-8-13(9-7-12)17(20)10-14-15(18)4-3-5-16(14)19/h3-5,11-13,17,20H,6-10H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol has a molecular weight of 315.28 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol is sourced from PubChem (CID 65423546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).