2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol

C16H19NO2 — CID 106954243

IUPAC2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
SMILESCc1cc(NC2CCCc3occc32)c(C)cc1O
InChIInChI=1S/C16H19NO2/c1-10-9-15(18)11(2)8-14(10)17-13-4-3-5-16-12(13)6-7-19-16/h6-9,13,17-18H,3-5H2,1-2H3
InChIKeyWBFBFNACTMEGRV-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.09
Rot. Bonds2

About 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol

2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol (PubChem CID 106954243) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
PubChem CID106954243
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
SMILESCc1cc(NC2CCCc3occc32)c(C)cc1O
InChIInChI=1S/C16H19NO2/c1-10-9-15(18)11(2)8-14(10)17-13-4-3-5-16-12(13)6-7-19-16/h6-9,13,17-18H,3-5H2,1-2H3
InChIKeyWBFBFNACTMEGRV-UHFFFAOYSA-N
XLogP4.09
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol?
The IUPAC name of 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol (CID 106954243) is 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol.
What is the SMILES notation for 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol?
The canonical SMILES for 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol is Cc1cc(NC2CCCc3occc32)c(C)cc1O.
What is the InChIKey of 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol?
The InChIKey is WBFBFNACTMEGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-9-15(18)11(2)8-14(10)17-13-4-3-5-16-12(13)6-7-19-16/h6-9,13,17-18H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol?
2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol has a molecular weight of 257.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol is sourced from PubChem (CID 106954243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).