4-tert-butyl-2-phenoxycyclohexan-1-ol

C16H24O2 — CID 13083812

IUPAC4-tert-butyl-2-phenoxycyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Oc2ccccc2)C1
InChIInChI=1S/C16H24O2/c1-16(2,3)12-9-10-14(17)15(11-12)18-13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3
InChIKeyUQQOPEBMXGTHST-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.64
Rot. Bonds2

About 4-tert-butyl-2-phenoxycyclohexan-1-ol

4-tert-butyl-2-phenoxycyclohexan-1-ol (PubChem CID 13083812) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-tert-butyl-2-phenoxycyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-phenoxycyclohexan-1-ol
PubChem CID13083812
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-tert-butyl-2-phenoxycyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Oc2ccccc2)C1
InChIInChI=1S/C16H24O2/c1-16(2,3)12-9-10-14(17)15(11-12)18-13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3
InChIKeyUQQOPEBMXGTHST-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenoxycyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-phenoxycyclohexan-1-ol (CID 13083812) is 4-tert-butyl-2-phenoxycyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-phenoxycyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-phenoxycyclohexan-1-ol is CC(C)(C)C1CCC(O)C(Oc2ccccc2)C1.
What is the InChIKey of 4-tert-butyl-2-phenoxycyclohexan-1-ol?
The InChIKey is UQQOPEBMXGTHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(2,3)12-9-10-14(17)15(11-12)18-13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3.
What are the key properties of 4-tert-butyl-2-phenoxycyclohexan-1-ol?
4-tert-butyl-2-phenoxycyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenoxycyclohexan-1-ol is sourced from PubChem (CID 13083812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).