3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol

C14H12ClNO2 — CID 43194202

IUPAC3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2Nc1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO2/c15-9-2-1-3-10(6-9)16-13-8-18-14-7-11(17)4-5-12(13)14/h1-7,13,16-17H,8H2
InChIKeyUQYDJHADUQLVFK-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.59
Rot. Bonds2

About 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol

3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43194202) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43194202
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2Nc1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO2/c15-9-2-1-3-10(6-9)16-13-8-18-14-7-11(17)4-5-12(13)14/h1-7,13,16-17H,8H2
InChIKeyUQYDJHADUQLVFK-UHFFFAOYSA-N
XLogP3.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 43194202) is 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is UQYDJHADUQLVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-9-2-1-3-10(6-9)16-13-8-18-14-7-11(17)4-5-12(13)14/h1-7,13,16-17H,8H2.
What are the key properties of 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 261.71 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43194202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).