5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol

C16H24O2 — CID 23757260

IUPAC5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol
SMILESCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(O)c1
InChIInChI=1S/C16H24O2/c1-16(2,3)12-7-8-14(15(18)10-12)11-5-4-6-13(17)9-11/h7-8,10-11,13,17-18H,4-6,9H2,1-3H3/t11-,13-/m0/s1
InChIKeyHPQKWVMRTITDBD-AAEUAGOBSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds1

About 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol

5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol (PubChem CID 23757260) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol.

Molecular Properties

Compound Name5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol
PubChem CID23757260
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol
SMILESCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(O)c1
InChIInChI=1S/C16H24O2/c1-16(2,3)12-7-8-14(15(18)10-12)11-5-4-6-13(17)9-11/h7-8,10-11,13,17-18H,4-6,9H2,1-3H3/t11-,13-/m0/s1
InChIKeyHPQKWVMRTITDBD-AAEUAGOBSA-N
XLogP3.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol?
The IUPAC name of 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol (CID 23757260) is 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol.
What is the SMILES notation for 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol?
The canonical SMILES for 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol is CC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(O)c1.
What is the InChIKey of 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol?
The InChIKey is HPQKWVMRTITDBD-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(2,3)12-7-8-14(15(18)10-12)11-5-4-6-13(17)9-11/h7-8,10-11,13,17-18H,4-6,9H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol?
5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol is sourced from PubChem (CID 23757260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).