1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol

C16H20O2 — CID 114980726

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H20O2/c1-4-13-5-7-14(8-6-13)10-16(17)15-9-11(2)18-12(15)3/h5-9,16-17H,4,10H2,1-3H3
InChIKeyREJNUWURFKASMV-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.73
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol

1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol (PubChem CID 114980726) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
PubChem CID114980726
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H20O2/c1-4-13-5-7-14(8-6-13)10-16(17)15-9-11(2)18-12(15)3/h5-9,16-17H,4,10H2,1-3H3
InChIKeyREJNUWURFKASMV-UHFFFAOYSA-N
XLogP3.73
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
1-(2,5-dimethylfuran-3-yl)pentan-1-ol
CID 115783226
3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran
CID 55222953
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol
CID 115818657
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol
CID 66461092
1-(2,5-dimethylfuran-3-yl)-4-methylpent-4-en-1-ol
CID 115834380
1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
CID 115818822
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
CID 115791080
1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816374
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
CID 105080205

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol (CID 114980726) is 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)c2cc(C)oc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol?
The InChIKey is REJNUWURFKASMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-13-5-7-14(8-6-13)10-16(17)15-9-11(2)18-12(15)3/h5-9,16-17H,4,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol?
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol has a molecular weight of 244.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 114980726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).