[2-(3-methoxy-3-methylbutoxy)phenyl]methanol

C13H20O3 — CID 102975241

IUPAC[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
SMILESCOC(C)(C)CCOc1ccccc1CO
InChIInChI=1S/C13H20O3/c1-13(2,15-3)8-9-16-12-7-5-4-6-11(12)10-14/h4-7,14H,8-10H2,1-3H3
InChIKeyMMSBSDJCVVCNJL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.37
Rot. Bonds6

About [2-(3-methoxy-3-methylbutoxy)phenyl]methanol

[2-(3-methoxy-3-methylbutoxy)phenyl]methanol (PubChem CID 102975241) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is [2-(3-methoxy-3-methylbutoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
PubChem CID102975241
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
SMILESCOC(C)(C)CCOc1ccccc1CO
InChIInChI=1S/C13H20O3/c1-13(2,15-3)8-9-16-12-7-5-4-6-11(12)10-14/h4-7,14H,8-10H2,1-3H3
InChIKeyMMSBSDJCVVCNJL-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 103034160
N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 103032778
[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
CID 106666377
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64809091
4-[2-(hydroxymethyl)phenoxy]-2,2-dimethylbutanethioamide
CID 65248067
2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033818
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)butanoic acid
CID 63654688
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
(2-octoxyphenyl)methanol
CID 43128604
2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033946

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-3-methylbutoxy)phenyl]methanol?
The IUPAC name of [2-(3-methoxy-3-methylbutoxy)phenyl]methanol (CID 102975241) is [2-(3-methoxy-3-methylbutoxy)phenyl]methanol.
What is the SMILES notation for [2-(3-methoxy-3-methylbutoxy)phenyl]methanol?
The canonical SMILES for [2-(3-methoxy-3-methylbutoxy)phenyl]methanol is COC(C)(C)CCOc1ccccc1CO.
What is the InChIKey of [2-(3-methoxy-3-methylbutoxy)phenyl]methanol?
The InChIKey is MMSBSDJCVVCNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-13(2,15-3)8-9-16-12-7-5-4-6-11(12)10-14/h4-7,14H,8-10H2,1-3H3.
What are the key properties of [2-(3-methoxy-3-methylbutoxy)phenyl]methanol?
[2-(3-methoxy-3-methylbutoxy)phenyl]methanol has a molecular weight of 224.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-3-methylbutoxy)phenyl]methanol is sourced from PubChem (CID 102975241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).