2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol

C16H19NO3 — CID 43208252

IUPAC2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
SMILESCOc1ccc(CNC2CCCc3occc32)cc1O
InChIInChI=1S/C16H19NO3/c1-19-16-6-5-11(9-14(16)18)10-17-13-3-2-4-15-12(13)7-8-20-15/h5-9,13,17-18H,2-4,10H2,1H3
InChIKeyACOBVNAKWUEAHS-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.16
Rot. Bonds4

About 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol

2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol (PubChem CID 43208252) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
PubChem CID43208252
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
SMILESCOc1ccc(CNC2CCCc3occc32)cc1O
InChIInChI=1S/C16H19NO3/c1-19-16-6-5-11(9-14(16)18)10-17-13-3-2-4-15-12(13)7-8-20-15/h5-9,13,17-18H,2-4,10H2,1H3
InChIKeyACOBVNAKWUEAHS-UHFFFAOYSA-N
XLogP3.16
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol (CID 43208252) is 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol is COc1ccc(CNC2CCCc3occc32)cc1O.
What is the InChIKey of 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol?
The InChIKey is ACOBVNAKWUEAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-16-6-5-11(9-14(16)18)10-17-13-3-2-4-15-12(13)7-8-20-15/h5-9,13,17-18H,2-4,10H2,1H3.
What are the key properties of 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol?
2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol has a molecular weight of 273.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol is sourced from PubChem (CID 43208252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).