5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol

C16H16FNO2 — CID 80562725

IUPAC5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C2(O)CCc3cc(N)ccc32)cc1F
InChIInChI=1S/C16H16FNO2/c1-20-15-5-2-11(9-14(15)17)16(19)7-6-10-8-12(18)3-4-13(10)16/h2-5,8-9,19H,6-7,18H2,1H3
InChIKeyNJYDWOGSEVTMCM-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.60
Rot. Bonds2

About 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol

5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol (PubChem CID 80562725) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol
PubChem CID80562725
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C2(O)CCc3cc(N)ccc32)cc1F
InChIInChI=1S/C16H16FNO2/c1-20-15-5-2-11(9-14(15)17)16(19)7-6-10-8-12(18)3-4-13(10)16/h2-5,8-9,19H,6-7,18H2,1H3
InChIKeyNJYDWOGSEVTMCM-UHFFFAOYSA-N
XLogP2.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol (CID 80562725) is 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol is COc1ccc(C2(O)CCc3cc(N)ccc32)cc1F.
What is the InChIKey of 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is NJYDWOGSEVTMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-15-5-2-11(9-14(15)17)16(19)7-6-10-8-12(18)3-4-13(10)16/h2-5,8-9,19H,6-7,18H2,1H3.
What are the key properties of 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol?
5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 273.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-fluoro-4-methoxyphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).