2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol

C20H23FN2O4 — CID 175183046

IUPAC2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
SMILESCOc1cccc(F)c1O.Cc1ccc2c(cnn2C2CCCCO2)c1O
InChIInChI=1S/C13H16N2O2.C7H7FO2/c1-9-5-6-11-10(13(9)16)8-14-15(11)12-4-2-3-7-17-12;1-10-6-4-2-3-5(8)7(6)9/h5-6,8,12,16H,2-4,7H2,1H3;2-4,9H,1H3
InChIKeyPBMFUEIRDQONMQ-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.29
Rot. Bonds2

About 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol

2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol (PubChem CID 175183046) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol.

Molecular Properties

Compound Name2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
PubChem CID175183046
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
SMILESCOc1cccc(F)c1O.Cc1ccc2c(cnn2C2CCCCO2)c1O
InChIInChI=1S/C13H16N2O2.C7H7FO2/c1-9-5-6-11-10(13(9)16)8-14-15(11)12-4-2-3-7-17-12;1-10-6-4-2-3-5(8)7(6)9/h5-6,8,12,16H,2-4,7H2,1H3;2-4,9H,1H3
InChIKeyPBMFUEIRDQONMQ-UHFFFAOYSA-N
XLogP4.29
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol?
The IUPAC name of 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol (CID 175183046) is 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol.
What is the SMILES notation for 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol?
The canonical SMILES for 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol is COc1cccc(F)c1O.Cc1ccc2c(cnn2C2CCCCO2)c1O.
What is the InChIKey of 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol?
The InChIKey is PBMFUEIRDQONMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C7H7FO2/c1-9-5-6-11-10(13(9)16)8-14-15(11)12-4-2-3-7-17-12;1-10-6-4-2-3-5(8)7(6)9/h5-6,8,12,16H,2-4,7H2,1H3;2-4,9H,1H3.
What are the key properties of 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol?
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol has a molecular weight of 374.41 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol is sourced from PubChem (CID 175183046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).