2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol

C12H17NO2 — CID 117229033

IUPAC2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol
SMILESCC1(C)CNC(Cc2ccccc2O)O1
InChIInChI=1S/C12H17NO2/c1-12(2)8-13-11(15-12)7-9-5-3-4-6-10(9)14/h3-6,11,13-14H,7-8H2,1-2H3
InChIKeyVKKIEOFRRCVTFT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.66
Rot. Bonds2

About 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol

2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol (PubChem CID 117229033) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol
PubChem CID117229033
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol
SMILESCC1(C)CNC(Cc2ccccc2O)O1
InChIInChI=1S/C12H17NO2/c1-12(2)8-13-11(15-12)7-9-5-3-4-6-10(9)14/h3-6,11,13-14H,7-8H2,1-2H3
InChIKeyVKKIEOFRRCVTFT-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol?
The IUPAC name of 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol (CID 117229033) is 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol?
The canonical SMILES for 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol is CC1(C)CNC(Cc2ccccc2O)O1.
What is the InChIKey of 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol?
The InChIKey is VKKIEOFRRCVTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2)8-13-11(15-12)7-9-5-3-4-6-10(9)14/h3-6,11,13-14H,7-8H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol?
2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-1,3-oxazolidin-2-yl)methyl]phenol is sourced from PubChem (CID 117229033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).