4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol

C13H18O4 — CID 101144934

IUPAC4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol
SMILES[2H]C([2H])([2H])Oc1cc(COC2CCCCO2)ccc1O
InChIInChI=1S/C13H18O4/c1-15-12-8-10(5-6-11(12)14)9-17-13-4-2-3-7-16-13/h5-6,8,13-14H,2-4,7,9H2,1H3/i1D3
InChIKeyYYYKXBSTQZFURD-FIBGUPNXSA-N
MW241.30 g/mol
LogP2.44
Rot. Bonds5

About 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol

4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol (PubChem CID 101144934) has the molecular formula C13H18O4 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol.

Molecular Properties

Compound Name4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol
PubChem CID101144934
Molecular FormulaC13H18O4
Molecular Weight241.30 g/mol
Exact Mass241.14
IUPAC Name4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol
SMILES[2H]C([2H])([2H])Oc1cc(COC2CCCCO2)ccc1O
InChIInChI=1S/C13H18O4/c1-15-12-8-10(5-6-11(12)14)9-17-13-4-2-3-7-16-13/h5-6,8,13-14H,2-4,7,9H2,1H3/i1D3
InChIKeyYYYKXBSTQZFURD-FIBGUPNXSA-N
XLogP2.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
2-[[3-methoxy-4-(1,1,2,2-tetradeuterio-2-iodoethoxy)phenyl]methoxy]oxane
CID 101144940
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
CID 69449644
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane
CID 102211763

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol?
The IUPAC name of 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol (CID 101144934) is 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol.
What is the SMILES notation for 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol?
The canonical SMILES for 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol is [2H]C([2H])([2H])Oc1cc(COC2CCCCO2)ccc1O.
What is the InChIKey of 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol?
The InChIKey is YYYKXBSTQZFURD-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-12-8-10(5-6-11(12)14)9-17-13-4-2-3-7-16-13/h5-6,8,13-14H,2-4,7,9H2,1H3/i1D3.
What are the key properties of 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol?
4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol has a molecular weight of 241.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol is sourced from PubChem (CID 101144934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).