3-[(4-tert-butylphenyl)methyl]oxan-4-ol

C16H24O2 — CID 106471360

IUPAC3-[(4-tert-butylphenyl)methyl]oxan-4-ol
SMILESCC(C)(C)c1ccc(CC2COCCC2O)cc1
InChIInChI=1S/C16H24O2/c1-16(2,3)14-6-4-12(5-7-14)10-13-11-18-9-8-15(13)17/h4-7,13,15,17H,8-11H2,1-3H3
InChIKeyBGQMXZJRMZCOOR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds2

About 3-[(4-tert-butylphenyl)methyl]oxan-4-ol

3-[(4-tert-butylphenyl)methyl]oxan-4-ol (PubChem CID 106471360) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl]oxan-4-ol
PubChem CID106471360
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-[(4-tert-butylphenyl)methyl]oxan-4-ol
SMILESCC(C)(C)c1ccc(CC2COCCC2O)cc1
InChIInChI=1S/C16H24O2/c1-16(2,3)14-6-4-12(5-7-14)10-13-11-18-9-8-15(13)17/h4-7,13,15,17H,8-11H2,1-3H3
InChIKeyBGQMXZJRMZCOOR-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-hydroxyphenyl)methyl]oxan-4-ol
CID 106471081
3-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863
3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
CID 106471356
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867
4-[(4-tert-butylphenyl)methyl]thiolan-3-ol
CID 83190158
4-bromo-3-[(4-ethylphenyl)methyl]oxane
CID 106471612
4-bromo-3-[(4-methylphenyl)methyl]oxane
CID 106471574
1-tert-butyl-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461490
3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
3-[(5-bromothiophen-2-yl)methyl]oxan-4-ol
CID 106471228
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 106471105
(3S,4S)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167860

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methyl]oxan-4-ol?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl]oxan-4-ol (CID 106471360) is 3-[(4-tert-butylphenyl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl]oxan-4-ol is CC(C)(C)c1ccc(CC2COCCC2O)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl]oxan-4-ol?
The InChIKey is BGQMXZJRMZCOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(2,3)14-6-4-12(5-7-14)10-13-11-18-9-8-15(13)17/h4-7,13,15,17H,8-11H2,1-3H3.
What are the key properties of 3-[(4-tert-butylphenyl)methyl]oxan-4-ol?
3-[(4-tert-butylphenyl)methyl]oxan-4-ol has a molecular weight of 248.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl]oxan-4-ol is sourced from PubChem (CID 106471360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).