4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol

C15H12ClNO2 — CID 82760456

IUPAC4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol
SMILESOc1ccc(NCc2c(Cl)oc3ccccc23)cc1
InChIInChI=1S/C15H12ClNO2/c16-15-13(12-3-1-2-4-14(12)19-15)9-17-10-5-7-11(18)8-6-10/h1-8,17-18H,9H2
InChIKeySJACYYWEGSFSLZ-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.40
Rot. Bonds3

About 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol

4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol (PubChem CID 82760456) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol
PubChem CID82760456
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol
SMILESOc1ccc(NCc2c(Cl)oc3ccccc23)cc1
InChIInChI=1S/C15H12ClNO2/c16-15-13(12-3-1-2-4-14(12)19-15)9-17-10-5-7-11(18)8-6-10/h1-8,17-18H,9H2
InChIKeySJACYYWEGSFSLZ-UHFFFAOYSA-N
XLogP4.40
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.40
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 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol?
The IUPAC name of 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol (CID 82760456) is 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol.
What is the SMILES notation for 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol?
The canonical SMILES for 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol is Oc1ccc(NCc2c(Cl)oc3ccccc23)cc1.
What is the InChIKey of 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol?
The InChIKey is SJACYYWEGSFSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-15-13(12-3-1-2-4-14(12)19-15)9-17-10-5-7-11(18)8-6-10/h1-8,17-18H,9H2.
What are the key properties of 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol?
4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol has a molecular weight of 273.72 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol is sourced from PubChem (CID 82760456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).