1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol

C19H20O2 — CID 114723155

IUPAC1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2cc3cccc(C)c3o2)cc1C
InChIInChI=1S/C19H20O2/c1-12-8-9-16(10-14(12)3)19(4,20)17-11-15-7-5-6-13(2)18(15)21-17/h5-11,20H,1-4H3
InChIKeyOKFMFKWZVNNJAO-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.61
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol

1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 114723155) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
PubChem CID114723155
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2cc3cccc(C)c3o2)cc1C
InChIInChI=1S/C19H20O2/c1-12-8-9-16(10-14(12)3)19(4,20)17-11-15-7-5-6-13(2)18(15)21-17/h5-11,20H,1-4H3
InChIKeyOKFMFKWZVNNJAO-UHFFFAOYSA-N
XLogP4.61
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol (CID 114723155) is 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol is Cc1ccc(C(C)(O)c2cc3cccc(C)c3o2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is OKFMFKWZVNNJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-12-8-9-16(10-14(12)3)19(4,20)17-11-15-7-5-6-13(2)18(15)21-17/h5-11,20H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol?
1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 280.37 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114723155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).