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

C17H19NO3 — CID 43682338

IUPAC3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCOc1ccccc1NC1COc2cc(O)ccc21
InChIInChI=1S/C17H19NO3/c1-2-9-20-16-6-4-3-5-14(16)18-15-11-21-17-10-12(19)7-8-13(15)17/h3-8,10,15,18-19H,2,9,11H2,1H3
InChIKeyQNFVNCPPZGJGAZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.73
Rot. Bonds5

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

3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43682338) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43682338
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCOc1ccccc1NC1COc2cc(O)ccc21
InChIInChI=1S/C17H19NO3/c1-2-9-20-16-6-4-3-5-14(16)18-15-11-21-17-10-12(19)7-8-13(15)17/h3-8,10,15,18-19H,2,9,11H2,1H3
InChIKeyQNFVNCPPZGJGAZ-UHFFFAOYSA-N
XLogP3.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149009
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372
3-(5-chloro-2-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43189473
3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 107596905
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
3-[(2-propoxyanilino)methyl]phenol
CID 43682286
3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43126164
4-[(2-propoxyanilino)methyl]benzene-1,3-diol
CID 43682277
N-cyclohexyl-2-propoxyaniline
CID 43682292
3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43194315
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 43682338) is 3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol is CCCOc1ccccc1NC1COc2cc(O)ccc21.
What is the InChIKey of 3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is QNFVNCPPZGJGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-9-20-16-6-4-3-5-14(16)18-15-11-21-17-10-12(19)7-8-13(15)17/h3-8,10,15,18-19H,2,9,11H2,1H3.
What are the key properties of 3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 285.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43682338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).