[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol

C11H16O2 — CID 45039734

IUPAC[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol
SMILES[2H]C([2H])([2H])Oc1cc(C)c(CO)c(C)c1C
InChIInChI=1S/C11H16O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5,12H,6H2,1-4H3/i4D3
InChIKeyVMSYOJIGAZHOLW-GKOSEXJESA-N
MW183.27 g/mol
LogP2.11
Rot. Bonds3

About [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol

[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol (PubChem CID 45039734) has the molecular formula C11H16O2 and a molecular weight of 183.27 g/mol. Its IUPAC name is [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol
PubChem CID45039734
Molecular FormulaC11H16O2
Molecular Weight183.27 g/mol
Exact Mass183.13
IUPAC Name[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol
SMILES[2H]C([2H])([2H])Oc1cc(C)c(CO)c(C)c1C
InChIInChI=1S/C11H16O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5,12H,6H2,1-4H3/i4D3
InChIKeyVMSYOJIGAZHOLW-GKOSEXJESA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
(2,3-dimethoxy-4,6-dimethylphenyl)methanol
CID 84666963
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
2,4-bis(hydroxymethyl)-3,5-dimethylphenol
CID 71367739
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
CID 84802792
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
CID 115217636
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl]prop-2-enoic acid
CID 116866294
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377
N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115258612
3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116927391

Frequently Asked Questions

What is the IUPAC name of [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol?
The IUPAC name of [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol (CID 45039734) is [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol.
What is the SMILES notation for [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol?
The canonical SMILES for [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol is [2H]C([2H])([2H])Oc1cc(C)c(CO)c(C)c1C.
What is the InChIKey of [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol?
The InChIKey is VMSYOJIGAZHOLW-GKOSEXJESA-N. The full InChI is InChI=1S/C11H16O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5,12H,6H2,1-4H3/i4D3.
What are the key properties of [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol?
[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol has a molecular weight of 183.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]methanol is sourced from PubChem (CID 45039734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).