6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol

C18H20FNO3 — CID 69116062

IUPAC6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol
SMILESCNCC1(O)Cc2ccc(F)cc2C1Oc1cccc(O)c1C
InChIInChI=1S/C18H20FNO3/c1-11-15(21)4-3-5-16(11)23-17-14-8-13(19)7-6-12(14)9-18(17,22)10-20-2/h3-8,17,20-22H,9-10H2,1-2H3
InChIKeyYADVFESSEQVUAQ-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.47
Rot. Bonds4

About 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol

6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol (PubChem CID 69116062) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol
PubChem CID69116062
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol
SMILESCNCC1(O)Cc2ccc(F)cc2C1Oc1cccc(O)c1C
InChIInChI=1S/C18H20FNO3/c1-11-15(21)4-3-5-16(11)23-17-14-8-13(19)7-6-12(14)9-18(17,22)10-20-2/h3-8,17,20-22H,9-10H2,1-2H3
InChIKeyYADVFESSEQVUAQ-UHFFFAOYSA-N
XLogP2.47
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol (CID 69116062) is 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol is CNCC1(O)Cc2ccc(F)cc2C1Oc1cccc(O)c1C.
What is the InChIKey of 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol?
The InChIKey is YADVFESSEQVUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-11-15(21)4-3-5-16(11)23-17-14-8-13(19)7-6-12(14)9-18(17,22)10-20-2/h3-8,17,20-22H,9-10H2,1-2H3.
What are the key properties of 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol?
6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol has a molecular weight of 317.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(3-hydroxy-2-methylphenoxy)-2-(methylaminomethyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 69116062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).