4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol

C17H26O — CID 116963215

IUPAC4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(C(C)(C)C)cc1C1CCC(O)CC1
InChIInChI=1S/C17H26O/c1-12-5-8-14(17(2,3)4)11-16(12)13-6-9-15(18)10-7-13/h5,8,11,13,15,18H,6-7,9-10H2,1-4H3
InChIKeyDDZLNXZPTLTRPY-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.31
Rot. Bonds1

About 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol

4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol (PubChem CID 116963215) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
PubChem CID116963215
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(C(C)(C)C)cc1C1CCC(O)CC1
InChIInChI=1S/C17H26O/c1-12-5-8-14(17(2,3)4)11-16(12)13-6-9-15(18)10-7-13/h5,8,11,13,15,18H,6-7,9-10H2,1-4H3
InChIKeyDDZLNXZPTLTRPY-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol (CID 116963215) is 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol is Cc1ccc(C(C)(C)C)cc1C1CCC(O)CC1.
What is the InChIKey of 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol?
The InChIKey is DDZLNXZPTLTRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12-5-8-14(17(2,3)4)11-16(12)13-6-9-15(18)10-7-13/h5,8,11,13,15,18H,6-7,9-10H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol?
4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 116963215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).