1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol

C17H26O — CID 81314579

IUPAC1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCc1ccc(C2(O)CCC(C)(C)CC2C)c(C)c1
InChIInChI=1S/C17H26O/c1-12-6-7-15(13(2)10-12)17(18)9-8-16(4,5)11-14(17)3/h6-7,10,14,18H,8-9,11H2,1-5H3
InChIKeyFFGHJPDONOQEHG-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.34
Rot. Bonds1

About 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol

1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 81314579) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
PubChem CID81314579
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCc1ccc(C2(O)CCC(C)(C)CC2C)c(C)c1
InChIInChI=1S/C17H26O/c1-12-6-7-15(13(2)10-12)17(18)9-8-16(4,5)11-14(17)3/h6-7,10,14,18H,8-9,11H2,1-5H3
InChIKeyFFGHJPDONOQEHG-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol (CID 81314579) is 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol is Cc1ccc(C2(O)CCC(C)(C)CC2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is FFGHJPDONOQEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12-6-7-15(13(2)10-12)17(18)9-8-16(4,5)11-14(17)3/h6-7,10,14,18H,8-9,11H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 81314579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).