4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol

C15H14ClNO2 — CID 63378435

IUPAC4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNC1COc2ccccc21
InChIInChI=1S/C15H14ClNO2/c16-11-5-6-14(18)10(7-11)8-17-13-9-19-15-4-2-1-3-12(13)15/h1-7,13,17-18H,8-9H2
InChIKeyGYTPQXYPNSQQQH-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.27
Rot. Bonds3

About 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol

4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol (PubChem CID 63378435) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol
PubChem CID63378435
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNC1COc2ccccc21
InChIInChI=1S/C15H14ClNO2/c16-11-5-6-14(18)10(7-11)8-17-13-9-19-15-4-2-1-3-12(13)15/h1-7,13,17-18H,8-9H2
InChIKeyGYTPQXYPNSQQQH-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol (CID 63378435) is 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol is Oc1ccc(Cl)cc1CNC1COc2ccccc21.
What is the InChIKey of 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol?
The InChIKey is GYTPQXYPNSQQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-11-5-6-14(18)10(7-11)8-17-13-9-19-15-4-2-1-3-12(13)15/h1-7,13,17-18H,8-9H2.
What are the key properties of 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol?
4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol has a molecular weight of 275.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol is sourced from PubChem (CID 63378435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).