(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol

C16H24O2 — CID 134851206

IUPAC(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@H](O)[C@@H](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/t12-,14-,15-/m0/s1
InChIKeyUQQOPEBMXGTHST-QEJZJMRPSA-N
MW248.37 g/mol
LogP3.64
Rot. Bonds2

About (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol

(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol (PubChem CID 134851206) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
PubChem CID134851206
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@H](O)[C@@H](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/t12-,14-,15-/m0/s1
InChIKeyUQQOPEBMXGTHST-QEJZJMRPSA-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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Related Compounds

4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 13083812
4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexan-1-ol
CID 63472729
4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine
CID 63474712
2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63471772
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine
CID 43100600
2-phenoxycyclooctan-1-ol
CID 22247671
(1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol
CID 101189092
(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol
CID 15444149
4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine
CID 43097367
2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene
CID 63459706
2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472714

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol?
The IUPAC name of (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol (CID 134851206) is (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol is CC(C)(C)[C@H]1CC[C@H](O)[C@@H](Oc2ccccc2)C1.
What is the InChIKey of (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol?
The InChIKey is UQQOPEBMXGTHST-QEJZJMRPSA-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/t12-,14-,15-/m0/s1.
What are the key properties of (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol?
(1S,2S,4S)-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 (1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol is sourced from PubChem (CID 134851206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).