1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol

C14H20O5 — CID 63558688

IUPAC1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol
SMILESCOc1ccc(C(O)COC2CCOC2)cc1OC
InChIInChI=1S/C14H20O5/c1-16-13-4-3-10(7-14(13)17-2)12(15)9-19-11-5-6-18-8-11/h3-4,7,11-12,15H,5-6,8-9H2,1-2H3
InChIKeyTZLTXBRZLBWDKH-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.54
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol

1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol (PubChem CID 63558688) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol
PubChem CID63558688
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol
SMILESCOc1ccc(C(O)COC2CCOC2)cc1OC
InChIInChI=1S/C14H20O5/c1-16-13-4-3-10(7-14(13)17-2)12(15)9-19-11-5-6-18-8-11/h3-4,7,11-12,15H,5-6,8-9H2,1-2H3
InChIKeyTZLTXBRZLBWDKH-UHFFFAOYSA-N
XLogP1.54
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(oxolan-3-yloxy)ethanol
CID 63558284
1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol
CID 63557286
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-3-yloxy)ethanol
CID 63558085
1-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-3-phenylpropan-1-ol
CID 25178114
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol
CID 81466199
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]butanal
CID 117415121
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol (CID 63558688) is 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol is COc1ccc(C(O)COC2CCOC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol?
The InChIKey is TZLTXBRZLBWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-16-13-4-3-10(7-14(13)17-2)12(15)9-19-11-5-6-18-8-11/h3-4,7,11-12,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol?
1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol has a molecular weight of 268.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol is sourced from PubChem (CID 63558688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).