[4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol

C22H20FNO — CID 69164734

IUPAC[4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol
SMILESOCc1ccc(-c2cccc(Cc3cc4c(cc3F)NCC4)c2)cc1
InChIInChI=1S/C22H20FNO/c23-21-13-22-19(8-9-24-22)12-20(21)11-16-2-1-3-18(10-16)17-6-4-15(14-25)5-7-17/h1-7,10,12-13,24-25H,8-9,11,14H2
InChIKeySVBYVWFEBAIUTM-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.54
Rot. Bonds4

About [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol

[4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol (PubChem CID 69164734) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol
PubChem CID69164734
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name[4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol
SMILESOCc1ccc(-c2cccc(Cc3cc4c(cc3F)NCC4)c2)cc1
InChIInChI=1S/C22H20FNO/c23-21-13-22-19(8-9-24-22)12-20(21)11-16-2-1-3-18(10-16)17-6-4-15(14-25)5-7-17/h1-7,10,12-13,24-25H,8-9,11,14H2
InChIKeySVBYVWFEBAIUTM-UHFFFAOYSA-N
XLogP4.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol?
The IUPAC name of [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol (CID 69164734) is [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol.
What is the SMILES notation for [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol?
The canonical SMILES for [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol is OCc1ccc(-c2cccc(Cc3cc4c(cc3F)NCC4)c2)cc1.
What is the InChIKey of [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol?
The InChIKey is SVBYVWFEBAIUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c23-21-13-22-19(8-9-24-22)12-20(21)11-16-2-1-3-18(10-16)17-6-4-15(14-25)5-7-17/h1-7,10,12-13,24-25H,8-9,11,14H2.
What are the key properties of [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol?
[4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol has a molecular weight of 333.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(6-fluoro-2,3-dihydro-1H-indol-5-yl)methyl]phenyl]phenyl]methanol is sourced from PubChem (CID 69164734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).