3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol

C16H17NO3 — CID 82978838

IUPAC3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1ccccc1N(C)C1COc2cc(O)ccc21
InChIInChI=1S/C16H17NO3/c1-17(13-5-3-4-6-15(13)19-2)14-10-20-16-9-11(18)7-8-12(14)16/h3-9,14,18H,10H2,1-2H3
InChIKeyCHQJHRQRTQCHJY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.97
Rot. Bonds3

About 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol

3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82978838) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82978838
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1ccccc1N(C)C1COc2cc(O)ccc21
InChIInChI=1S/C16H17NO3/c1-17(13-5-3-4-6-15(13)19-2)14-10-20-16-9-11(18)7-8-12(14)16/h3-9,14,18H,10H2,1-2H3
InChIKeyCHQJHRQRTQCHJY-UHFFFAOYSA-N
XLogP2.97
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 82978838) is 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol is COc1ccccc1N(C)C1COc2cc(O)ccc21.
What is the InChIKey of 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is CHQJHRQRTQCHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-17(13-5-3-4-6-15(13)19-2)14-10-20-16-9-11(18)7-8-12(14)16/h3-9,14,18H,10H2,1-2H3.
What are the key properties of 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 271.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82978838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).