2-[(3-methoxyphenoxy)methyl]pentan-1-ol

C13H20O3 — CID 117241933

IUPAC2-[(3-methoxyphenoxy)methyl]pentan-1-ol
SMILESCCCC(CO)COc1cccc(OC)c1
InChIInChI=1S/C13H20O3/c1-3-5-11(9-14)10-16-13-7-4-6-12(8-13)15-2/h4,6-8,11,14H,3,5,9-10H2,1-2H3
InChIKeyIMODFSRFENPJIC-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.48
Rot. Bonds7

About 2-[(3-methoxyphenoxy)methyl]pentan-1-ol

2-[(3-methoxyphenoxy)methyl]pentan-1-ol (PubChem CID 117241933) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]pentan-1-ol
PubChem CID117241933
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-[(3-methoxyphenoxy)methyl]pentan-1-ol
SMILESCCCC(CO)COc1cccc(OC)c1
InChIInChI=1S/C13H20O3/c1-3-5-11(9-14)10-16-13-7-4-6-12(8-13)15-2/h4,6-8,11,14H,3,5,9-10H2,1-2H3
InChIKeyIMODFSRFENPJIC-UHFFFAOYSA-N
XLogP2.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
CID 117244947
(3-methoxyphenoxy)methanol
CID 10442564
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
2-[(3-bromophenoxy)methyl]butan-1-ol
CID 117241907
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
2-(3-methoxyanilino)pentan-1-ol
CID 61050273

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]pentan-1-ol?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]pentan-1-ol (CID 117241933) is 2-[(3-methoxyphenoxy)methyl]pentan-1-ol.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]pentan-1-ol?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]pentan-1-ol is CCCC(CO)COc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]pentan-1-ol?
The InChIKey is IMODFSRFENPJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-5-11(9-14)10-16-13-7-4-6-12(8-13)15-2/h4,6-8,11,14H,3,5,9-10H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]pentan-1-ol?
2-[(3-methoxyphenoxy)methyl]pentan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]pentan-1-ol is sourced from PubChem (CID 117241933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).