1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol

C14H16O2 — CID 63950172

IUPAC1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol
SMILESCc1ccc(C)c(C(C)(O)c2ccoc2)c1
InChIInChI=1S/C14H16O2/c1-10-4-5-11(2)13(8-10)14(3,15)12-6-7-16-9-12/h4-9,15H,1-3H3
InChIKeyCAOIKBYJXSYVCG-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.15
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol

1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol (PubChem CID 63950172) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol
PubChem CID63950172
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol
SMILESCc1ccc(C)c(C(C)(O)c2ccoc2)c1
InChIInChI=1S/C14H16O2/c1-10-4-5-11(2)13(8-10)14(3,15)12-6-7-16-9-12/h4-9,15H,1-3H3
InChIKeyCAOIKBYJXSYVCG-UHFFFAOYSA-N
XLogP3.15
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol (CID 63950172) is 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol is Cc1ccc(C)c(C(C)(O)c2ccoc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol?
The InChIKey is CAOIKBYJXSYVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10-4-5-11(2)13(8-10)14(3,15)12-6-7-16-9-12/h4-9,15H,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol?
1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol has a molecular weight of 216.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol is sourced from PubChem (CID 63950172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).