1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol

C18H20O3 — CID 43506397

IUPAC1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol
SMILESCC(O)c1ccc(Oc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C18H20O3/c1-12(19)13-7-9-15(10-8-13)20-16-6-4-5-14-11-18(2,3)21-17(14)16/h4-10,12,19H,11H2,1-3H3
InChIKeyMUXZZUKDTISENN-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.25
Rot. Bonds3

About 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol

1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol (PubChem CID 43506397) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol
PubChem CID43506397
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol
SMILESCC(O)c1ccc(Oc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C18H20O3/c1-12(19)13-7-9-15(10-8-13)20-16-6-4-5-14-11-18(2,3)21-17(14)16/h4-10,12,19H,11H2,1-3H3
InChIKeyMUXZZUKDTISENN-UHFFFAOYSA-N
XLogP4.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol?
The IUPAC name of 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol (CID 43506397) is 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol is CC(O)c1ccc(Oc2cccc3c2OC(C)(C)C3)cc1.
What is the InChIKey of 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol?
The InChIKey is MUXZZUKDTISENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12(19)13-7-9-15(10-8-13)20-16-6-4-5-14-11-18(2,3)21-17(14)16/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol?
1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol has a molecular weight of 284.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol is sourced from PubChem (CID 43506397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).