2-tert-butyl-4-(oxan-2-yloxy)phenol

C15H22O3 — CID 12842791

IUPAC2-tert-butyl-4-(oxan-2-yloxy)phenol
SMILESCC(C)(C)c1cc(OC2CCCCO2)ccc1O
InChIInChI=1S/C15H22O3/c1-15(2,3)12-10-11(7-8-13(12)16)18-14-6-4-5-9-17-14/h7-8,10,14,16H,4-6,9H2,1-3H3
InChIKeyUOSDXFOYSNDUKV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.60
Rot. Bonds2

About 2-tert-butyl-4-(oxan-2-yloxy)phenol

2-tert-butyl-4-(oxan-2-yloxy)phenol (PubChem CID 12842791) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-tert-butyl-4-(oxan-2-yloxy)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(oxan-2-yloxy)phenol
PubChem CID12842791
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-tert-butyl-4-(oxan-2-yloxy)phenol
SMILESCC(C)(C)c1cc(OC2CCCCO2)ccc1O
InChIInChI=1S/C15H22O3/c1-15(2,3)12-10-11(7-8-13(12)16)18-14-6-4-5-9-17-14/h7-8,10,14,16H,4-6,9H2,1-3H3
InChIKeyUOSDXFOYSNDUKV-UHFFFAOYSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)oxane
CID 10987441
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
4-(oxan-2-yloxy)phenol
CID 11745519
2-hydroxy-4-(oxan-2-yloxy)benzoic acid
CID 129079966
4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol
CID 170406702
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228
9-methyl-2,7-bis(oxan-2-yloxy)fluoren-9-ol
CID 154680130
2-iodo-6-methyl-4-(oxan-2-yloxy)phenol
CID 166783804
2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide
CID 129079902
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
4-(oxan-2-yloxy)benzoic acid
CID 11183645
3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
CID 124863691

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(oxan-2-yloxy)phenol?
The IUPAC name of 2-tert-butyl-4-(oxan-2-yloxy)phenol (CID 12842791) is 2-tert-butyl-4-(oxan-2-yloxy)phenol.
What is the SMILES notation for 2-tert-butyl-4-(oxan-2-yloxy)phenol?
The canonical SMILES for 2-tert-butyl-4-(oxan-2-yloxy)phenol is CC(C)(C)c1cc(OC2CCCCO2)ccc1O.
What is the InChIKey of 2-tert-butyl-4-(oxan-2-yloxy)phenol?
The InChIKey is UOSDXFOYSNDUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2,3)12-10-11(7-8-13(12)16)18-14-6-4-5-9-17-14/h7-8,10,14,16H,4-6,9H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(oxan-2-yloxy)phenol?
2-tert-butyl-4-(oxan-2-yloxy)phenol has a molecular weight of 250.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(oxan-2-yloxy)phenol is sourced from PubChem (CID 12842791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).