2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol

C13H18O4 — CID 117349285

IUPAC2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
SMILESCOc1ccc(C(C)CO)cc1OC1COC1
InChIInChI=1S/C13H18O4/c1-9(6-14)10-3-4-12(15-2)13(5-10)17-11-7-16-8-11/h3-5,9,11,14H,6-8H2,1-2H3
InChIKeyQJFGLYSLCGQBLJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.57
Rot. Bonds5

About 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol

2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol (PubChem CID 117349285) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
PubChem CID117349285
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
SMILESCOc1ccc(C(C)CO)cc1OC1COC1
InChIInChI=1S/C13H18O4/c1-9(6-14)10-3-4-12(15-2)13(5-10)17-11-7-16-8-11/h3-5,9,11,14H,6-8H2,1-2H3
InChIKeyQJFGLYSLCGQBLJ-UHFFFAOYSA-N
XLogP1.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117424833
3-[3-methoxy-4-(oxetan-3-yloxy)phenyl]butanal
CID 117378992
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117419672
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
2-[2-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117297539
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769
2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol
CID 117320432
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]butanal
CID 117415121

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol?
The IUPAC name of 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol (CID 117349285) is 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol is COc1ccc(C(C)CO)cc1OC1COC1.
What is the InChIKey of 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol?
The InChIKey is QJFGLYSLCGQBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(6-14)10-3-4-12(15-2)13(5-10)17-11-7-16-8-11/h3-5,9,11,14H,6-8H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol?
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol has a molecular weight of 238.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117349285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).