1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol

C14H20O4 — CID 63557286

IUPAC1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol
SMILESCOc1ccc(C(C)O)cc1COC1CCOC1
InChIInChI=1S/C14H20O4/c1-10(15)11-3-4-14(16-2)12(7-11)8-18-13-5-6-17-9-13/h3-4,7,10,13,15H,5-6,8-9H2,1-2H3
InChIKeyXJXIIIZKIAOOJD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.05
Rot. Bonds5

About 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol

1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol (PubChem CID 63557286) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol
PubChem CID63557286
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol
SMILESCOc1ccc(C(C)O)cc1COC1CCOC1
InChIInChI=1S/C14H20O4/c1-10(15)11-3-4-14(16-2)12(7-11)8-18-13-5-6-17-9-13/h3-4,7,10,13,15H,5-6,8-9H2,1-2H3
InChIKeyXJXIIIZKIAOOJD-UHFFFAOYSA-N
XLogP2.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol
CID 63558688
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
N-[[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63556444
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
1-(2-methoxy-5-methylphenyl)-2-(oxolan-3-yloxy)ethanol
CID 63558284
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104537926
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 63727807
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
CID 64746522
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]butanal
CID 117415121
1-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-3-phenylpropan-1-ol
CID 25178114

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol?
The IUPAC name of 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol (CID 63557286) is 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol is COc1ccc(C(C)O)cc1COC1CCOC1.
What is the InChIKey of 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol?
The InChIKey is XJXIIIZKIAOOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(15)11-3-4-14(16-2)12(7-11)8-18-13-5-6-17-9-13/h3-4,7,10,13,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol?
1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol is sourced from PubChem (CID 63557286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).