2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol

C18H20O3 — CID 83044772

IUPAC2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)C2Cc3ccccc3O2)cc1C
InChIInChI=1S/C18H20O3/c1-11-8-14(9-12(2)18(11)20-3)17(19)16-10-13-6-4-5-7-15(13)21-16/h4-9,16-17,19H,10H2,1-3H3
InChIKeyIYBCDLCOTNYJND-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.35
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol

2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol (PubChem CID 83044772) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol
PubChem CID83044772
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)C2Cc3ccccc3O2)cc1C
InChIInChI=1S/C18H20O3/c1-11-8-14(9-12(2)18(11)20-3)17(19)16-10-13-6-4-5-7-15(13)21-16/h4-9,16-17,19H,10H2,1-3H3
InChIKeyIYBCDLCOTNYJND-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol (CID 83044772) is 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol is COc1c(C)cc(C(O)C2Cc3ccccc3O2)cc1C.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol?
The InChIKey is IYBCDLCOTNYJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-11-8-14(9-12(2)18(11)20-3)17(19)16-10-13-6-4-5-7-15(13)21-16/h4-9,16-17,19H,10H2,1-3H3.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol?
2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol has a molecular weight of 284.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 83044772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).