1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol

C16H16FNO2 — CID 107682716

IUPAC1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCOc1cc(NC2CCc3cc(O)ccc32)ccc1F
InChIInChI=1S/C16H16FNO2/c1-20-16-9-11(3-6-14(16)17)18-15-7-2-10-8-12(19)4-5-13(10)15/h3-6,8-9,15,18-19H,2,7H2,1H3
InChIKeyKBKYZHMBCSVVTG-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.64
Rot. Bonds3

About 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol

1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682716) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682716
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCOc1cc(NC2CCc3cc(O)ccc32)ccc1F
InChIInChI=1S/C16H16FNO2/c1-20-16-9-11(3-6-14(16)17)18-15-7-2-10-8-12(19)4-5-13(10)15/h3-6,8-9,15,18-19H,2,7H2,1H3
InChIKeyKBKYZHMBCSVVTG-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682089
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359
2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114837645
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
CID 107681939
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol
CID 107681840
1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682189
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682716) is 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol is COc1cc(NC2CCc3cc(O)ccc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is KBKYZHMBCSVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-16-9-11(3-6-14(16)17)18-15-7-2-10-8-12(19)4-5-13(10)15/h3-6,8-9,15,18-19H,2,7H2,1H3.
What are the key properties of 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol?
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 273.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).