3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol

C14H12ClNO2 — CID 43194315

IUPAC3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-9-1-3-10(4-2-9)16-13-8-18-14-7-11(17)5-6-12(13)14/h1-7,13,16-17H,8H2
InChIKeyXWWYMXFSTWQLPM-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.59
Rot. Bonds2

About 3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol

3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43194315) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43194315
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-9-1-3-10(4-2-9)16-13-8-18-14-7-11(17)5-6-12(13)14/h1-7,13,16-17H,8H2
InChIKeyXWWYMXFSTWQLPM-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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Related Compounds

3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43194202
3-(5-chloro-2-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43189473
2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide
CID 43724199
3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 107596905
3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43126164
3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 62538426
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(2-fluoro-6-nitroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 81305960
3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 61299065
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43609955
3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 60924790

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 43194315) is 3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is XWWYMXFSTWQLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-9-1-3-10(4-2-9)16-13-8-18-14-7-11(17)5-6-12(13)14/h1-7,13,16-17H,8H2.
What are the key properties of 3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(4-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-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43194315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).