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

C16H20O3 — CID 65153070

IUPAC(4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCCOc1ccc(C(O)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C16H20O3/c1-5-18-14-8-6-13(7-9-14)16(17)15-10(2)11(3)19-12(15)4/h6-9,16-17H,5H2,1-4H3
InChIKeyZKLIGPBSFUFZPU-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.69
Rot. Bonds4

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

(4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 65153070) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID65153070
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCCOc1ccc(C(O)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C16H20O3/c1-5-18-14-8-6-13(7-9-14)16(17)15-10(2)11(3)19-12(15)4/h6-9,16-17H,5H2,1-4H3
InChIKeyZKLIGPBSFUFZPU-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

(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115827546
(4-ethoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 61088282
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 61100563
(2,3-dimethylphenyl)-(4-ethoxyphenyl)methanol
CID 61100219
(4-ethoxyphenyl)-(furan-3-yl)methanol
CID 61100737
amino-(4-ethoxyphenyl)methanol
CID 116939610
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
CID 81476153
(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477516
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309
(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 55133392
(4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61100042

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of (4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol (CID 65153070) is (4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for (4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for (4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol is CCOc1ccc(C(O)c2c(C)oc(C)c2C)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is ZKLIGPBSFUFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-5-18-14-8-6-13(7-9-14)16(17)15-10(2)11(3)19-12(15)4/h6-9,16-17H,5H2,1-4H3.
What are the key properties of (4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
(4-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 (4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 65153070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).