(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol

C16H20O3 — CID 115827546

IUPAC(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCCOc1cccc(C(O)c2c(C)oc(C)c2C)c1
InChIInChI=1S/C16H20O3/c1-5-18-14-8-6-7-13(9-14)16(17)15-10(2)11(3)19-12(15)4/h6-9,16-17H,5H2,1-4H3
InChIKeyFUQHOEXLZVERHE-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.69
Rot. Bonds4

About (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol

(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 115827546) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID115827546
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCCOc1cccc(C(O)c2c(C)oc(C)c2C)c1
InChIInChI=1S/C16H20O3/c1-5-18-14-8-6-7-13(9-14)16(17)15-10(2)11(3)19-12(15)4/h6-9,16-17H,5H2,1-4H3
InChIKeyFUQHOEXLZVERHE-UHFFFAOYSA-N
XLogP3.69
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153070
(3-ethoxyphenyl)-(furan-3-yl)methanol
CID 63948949
(2,4-dimethylphenyl)-(3-ethoxyphenyl)methanol
CID 62802337
chloro-(3-ethoxyphenyl)methanol
CID 141156919
(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 79992255
(3-ethoxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115827523
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
CID 114723288
(3-ethoxyphenyl)-pyrazin-2-ylmethanol
CID 63969423
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol (CID 115827546) is (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol is CCOc1cccc(C(O)c2c(C)oc(C)c2C)c1.
What is the InChIKey of (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is FUQHOEXLZVERHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-5-18-14-8-6-7-13(9-14)16(17)15-10(2)11(3)19-12(15)4/h6-9,16-17H,5H2,1-4H3.
What are the key properties of (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 260.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 115827546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).