4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol

C17H24Cl2O — CID 65316707

IUPAC4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H24Cl2O/c1-16(2,3)13-6-8-17(20,9-7-13)11-12-10-14(18)4-5-15(12)19/h4-5,10,13,20H,6-9,11H2,1-3H3
InChIKeyZIUFCERJFNFKGL-UHFFFAOYSA-N
MW315.28 g/mol
LogP5.50
Rot. Bonds2

About 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol

4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol (PubChem CID 65316707) has the molecular formula C17H24Cl2O and a molecular weight of 315.28 g/mol. Its IUPAC name is 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
PubChem CID65316707
Molecular FormulaC17H24Cl2O
Molecular Weight315.28 g/mol
Exact Mass314.12
IUPAC Name4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H24Cl2O/c1-16(2,3)13-6-8-17(20,9-7-13)11-12-10-14(18)4-5-15(12)19/h4-5,10,13,20H,6-9,11H2,1-3H3
InChIKeyZIUFCERJFNFKGL-UHFFFAOYSA-N
XLogP5.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883412
1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65316674
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 63406908
4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406990
1-[(2,5-dichlorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 171613045
1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117322636
1-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65393899

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol (CID 65316707) is 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol is CC(C)(C)C1CCC(O)(Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is ZIUFCERJFNFKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2O/c1-16(2,3)13-6-8-17(20,9-7-13)11-12-10-14(18)4-5-15(12)19/h4-5,10,13,20H,6-9,11H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol?
4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 315.28 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65316707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).