1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol

C14H16O4 — CID 113315417

IUPAC1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol
SMILESCOc1cc(OC)cc(C(C)(O)c2ccoc2)c1
InChIInChI=1S/C14H16O4/c1-14(15,10-4-5-18-9-10)11-6-12(16-2)8-13(7-11)17-3/h4-9,15H,1-3H3
InChIKeyUJTMOMBKIQDCOM-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.55
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol

1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol (PubChem CID 113315417) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol
PubChem CID113315417
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol
SMILESCOc1cc(OC)cc(C(C)(O)c2ccoc2)c1
InChIInChI=1S/C14H16O4/c1-14(15,10-4-5-18-9-10)11-6-12(16-2)8-13(7-11)17-3/h4-9,15H,1-3H3
InChIKeyUJTMOMBKIQDCOM-UHFFFAOYSA-N
XLogP2.55
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol (CID 113315417) is 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol is COc1cc(OC)cc(C(C)(O)c2ccoc2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol?
The InChIKey is UJTMOMBKIQDCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-14(15,10-4-5-18-9-10)11-6-12(16-2)8-13(7-11)17-3/h4-9,15H,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol?
1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol has a molecular weight of 248.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol is sourced from PubChem (CID 113315417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).