4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol

C17H24Cl2O — CID 63461445

IUPAC4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H24Cl2O/c1-17(2,3)13-5-7-16(20)12(10-13)8-11-4-6-14(18)15(19)9-11/h4,6,9,12-13,16,20H,5,7-8,10H2,1-3H3
InChIKeyWTZFNQCRUWXHQZ-UHFFFAOYSA-N
MW315.28 g/mol
LogP5.36
Rot. Bonds2

About 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol

4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol (PubChem CID 63461445) has the molecular formula C17H24Cl2O and a molecular weight of 315.28 g/mol. Its IUPAC name is 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol
PubChem CID63461445
Molecular FormulaC17H24Cl2O
Molecular Weight315.28 g/mol
Exact Mass314.12
IUPAC Name4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H24Cl2O/c1-17(2,3)13-5-7-16(20)12(10-13)8-11-4-6-14(18)15(19)9-11/h4,6,9,12-13,16,20H,5,7-8,10H2,1-3H3
InChIKeyWTZFNQCRUWXHQZ-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol (CID 63461445) is 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol is CC(C)(C)C1CCC(O)C(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is WTZFNQCRUWXHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2O/c1-17(2,3)13-5-7-16(20)12(10-13)8-11-4-6-14(18)15(19)9-11/h4,6,9,12-13,16,20H,5,7-8,10H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol?
4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 315.28 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63461445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).