4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole

C22H17F2NO2 — CID 14811705

IUPAC4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole
SMILESFc1c(OCc2ccccc2)c(F)c2cc[nH]c2c1OCc1ccccc1
InChIInChI=1S/C22H17F2NO2/c23-18-17-11-12-25-20(17)22(27-14-16-9-5-2-6-10-16)19(24)21(18)26-13-15-7-3-1-4-8-15/h1-12,25H,13-14H2
InChIKeyULYQEWQXQOXVRP-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.60
Rot. Bonds6

About 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole

4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole (PubChem CID 14811705) has the molecular formula C22H17F2NO2 and a molecular weight of 365.38 g/mol. Its IUPAC name is 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole.

Molecular Properties

Compound Name4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole
PubChem CID14811705
Molecular FormulaC22H17F2NO2
Molecular Weight365.38 g/mol
Exact Mass365.12
IUPAC Name4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole
SMILESFc1c(OCc2ccccc2)c(F)c2cc[nH]c2c1OCc1ccccc1
InChIInChI=1S/C22H17F2NO2/c23-18-17-11-12-25-20(17)22(27-14-16-9-5-2-6-10-16)19(24)21(18)26-13-15-7-3-1-4-8-15/h1-12,25H,13-14H2
InChIKeyULYQEWQXQOXVRP-UHFFFAOYSA-N
XLogP5.60
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-difluoro-5-nitro-2,4,6-tris(phenylmethoxy)benzene
CID 10743231
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
4-bromo-5-methyl-7-phenylmethoxy-1H-indole
CID 59898831
7-methyl-5-phenylmethoxy-1H-indole
CID 156694720
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
5-ethoxy-4-phenylmethoxy-1H-indole
CID 18962543
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine
CID 11253095
2,3-bis(phenylmethoxy)-1H-pyrrole
CID 67393754
8-methoxy-6-phenylmethoxy-1H-quinolin-4-one
CID 15675252
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole?
The IUPAC name of 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole (CID 14811705) is 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole.
What is the SMILES notation for 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole?
The canonical SMILES for 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole is Fc1c(OCc2ccccc2)c(F)c2cc[nH]c2c1OCc1ccccc1.
What is the InChIKey of 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole?
The InChIKey is ULYQEWQXQOXVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO2/c23-18-17-11-12-25-20(17)22(27-14-16-9-5-2-6-10-16)19(24)21(18)26-13-15-7-3-1-4-8-15/h1-12,25H,13-14H2.
What are the key properties of 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole?
4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole has a molecular weight of 365.38 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole is sourced from PubChem (CID 14811705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).