4-[3-(methoxymethyl)phenoxy]pentan-2-ol

C13H20O3 — CID 64720842

IUPAC4-[3-(methoxymethyl)phenoxy]pentan-2-ol
SMILESCOCc1cccc(OC(C)CC(C)O)c1
InChIInChI=1S/C13H20O3/c1-10(14)7-11(2)16-13-6-4-5-12(8-13)9-15-3/h4-6,8,10-11,14H,7,9H2,1-3H3
InChIKeyWDXMUJSDZGLUIN-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.37
Rot. Bonds6

About 4-[3-(methoxymethyl)phenoxy]pentan-2-ol

4-[3-(methoxymethyl)phenoxy]pentan-2-ol (PubChem CID 64720842) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]pentan-2-ol.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]pentan-2-ol
PubChem CID64720842
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-[3-(methoxymethyl)phenoxy]pentan-2-ol
SMILESCOCc1cccc(OC(C)CC(C)O)c1
InChIInChI=1S/C13H20O3/c1-10(14)7-11(2)16-13-6-4-5-12(8-13)9-15-3/h4-6,8,10-11,14H,7,9H2,1-3H3
InChIKeyWDXMUJSDZGLUIN-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

4-[3-(methoxymethyl)phenoxy]pentanoic acid
CID 63986541
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
3-[3-(methoxymethyl)phenoxy]heptan-4-ol
CID 63984608
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
4-naphthalen-2-yloxypentan-2-ol
CID 64720616
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64728224
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]pentan-2-ol?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]pentan-2-ol (CID 64720842) is 4-[3-(methoxymethyl)phenoxy]pentan-2-ol.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]pentan-2-ol?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]pentan-2-ol is COCc1cccc(OC(C)CC(C)O)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]pentan-2-ol?
The InChIKey is WDXMUJSDZGLUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10(14)7-11(2)16-13-6-4-5-12(8-13)9-15-3/h4-6,8,10-11,14H,7,9H2,1-3H3.
What are the key properties of 4-[3-(methoxymethyl)phenoxy]pentan-2-ol?
4-[3-(methoxymethyl)phenoxy]pentan-2-ol 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 4-[3-(methoxymethyl)phenoxy]pentan-2-ol is sourced from PubChem (CID 64720842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).