4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol

C17H26O — CID 142848470

IUPAC4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol
SMILESCC(C)C1CCC(C)(C)CC1c1ccc(O)cc1
InChIInChI=1S/C17H26O/c1-12(2)15-9-10-17(3,4)11-16(15)13-5-7-14(18)8-6-13/h5-8,12,15-16,18H,9-11H2,1-4H3
InChIKeyGFIPHYFUHCILEJ-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.96
Rot. Bonds2

About 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol

4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol (PubChem CID 142848470) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol.

Molecular Properties

Compound Name4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol
PubChem CID142848470
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol
SMILESCC(C)C1CCC(C)(C)CC1c1ccc(O)cc1
InChIInChI=1S/C17H26O/c1-12(2)15-9-10-17(3,4)11-16(15)13-5-7-14(18)8-6-13/h5-8,12,15-16,18H,9-11H2,1-4H3
InChIKeyGFIPHYFUHCILEJ-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol?
The IUPAC name of 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol (CID 142848470) is 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol.
What is the SMILES notation for 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol?
The canonical SMILES for 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol is CC(C)C1CCC(C)(C)CC1c1ccc(O)cc1.
What is the InChIKey of 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol?
The InChIKey is GFIPHYFUHCILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12(2)15-9-10-17(3,4)11-16(15)13-5-7-14(18)8-6-13/h5-8,12,15-16,18H,9-11H2,1-4H3.
What are the key properties of 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol?
4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol has a molecular weight of 246.39 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol is sourced from PubChem (CID 142848470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).