1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol

C17H17NO2 — CID 107682101

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1ccc2c(c1)CCO2
InChIInChI=1S/C17H17NO2/c19-14-3-4-15-11(10-14)1-5-16(15)18-13-2-6-17-12(9-13)7-8-20-17/h2-4,6,9-10,16,18-19H,1,5,7-8H2
InChIKeyVOMJQIVGJYBKJY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.43
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol

1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682101) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682101
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1ccc2c(c1)CCO2
InChIInChI=1S/C17H17NO2/c19-14-3-4-15-11(10-14)1-5-16(15)18-13-2-6-17-12(9-13)7-8-20-17/h2-4,6,9-10,16,18-19H,1,5,7-8H2
InChIKeyVOMJQIVGJYBKJY-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115929026
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 107681837
2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682089
1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107682026
1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol
CID 107681840
4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 107682006
5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107678368
N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1-benzofuran-5-amine
CID 61308618
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107682586
methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
CID 107681939

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol (CID 107682101) is 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2Nc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is VOMJQIVGJYBKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-14-3-4-15-11(10-14)1-5-16(15)18-13-2-6-17-12(9-13)7-8-20-17/h2-4,6,9-10,16,18-19H,1,5,7-8H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol?
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 267.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).