2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol

C22H18FNO3 — CID 54136744

IUPAC2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol
SMILESCOc1ccc2c(Cc3ccc(O)cc3)n(-c3ccc(F)cc3)c(O)c2c1
InChIInChI=1S/C22H18FNO3/c1-27-18-10-11-19-20(13-18)22(26)24(16-6-4-15(23)5-7-16)21(19)12-14-2-8-17(25)9-3-14/h2-11,13,25-26H,12H2,1H3
InChIKeyNYGFTRRJPVUCOS-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.78
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol

2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol (PubChem CID 54136744) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol
PubChem CID54136744
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol
SMILESCOc1ccc2c(Cc3ccc(O)cc3)n(-c3ccc(F)cc3)c(O)c2c1
InChIInChI=1S/C22H18FNO3/c1-27-18-10-11-19-20(13-18)22(26)24(16-6-4-15(23)5-7-16)21(19)12-14-2-8-17(25)9-3-14/h2-11,13,25-26H,12H2,1H3
InChIKeyNYGFTRRJPVUCOS-UHFFFAOYSA-N
XLogP4.78
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol (CID 54136744) is 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol is COc1ccc2c(Cc3ccc(O)cc3)n(-c3ccc(F)cc3)c(O)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol?
The InChIKey is NYGFTRRJPVUCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c1-27-18-10-11-19-20(13-18)22(26)24(16-6-4-15(23)5-7-16)21(19)12-14-2-8-17(25)9-3-14/h2-11,13,25-26H,12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol?
2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol has a molecular weight of 363.39 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol is sourced from PubChem (CID 54136744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).