1-benzyl-6-fluoro-4-phenylmethoxyindole

C22H18FNO — CID 141202922

IUPAC1-benzyl-6-fluoro-4-phenylmethoxyindole
SMILESFc1cc(OCc2ccccc2)c2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C22H18FNO/c23-19-13-21-20(11-12-24(21)15-17-7-3-1-4-8-17)22(14-19)25-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyCBEMXPCCVSZVMQ-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.41
Rot. Bonds5

About 1-benzyl-6-fluoro-4-phenylmethoxyindole

1-benzyl-6-fluoro-4-phenylmethoxyindole (PubChem CID 141202922) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-benzyl-6-fluoro-4-phenylmethoxyindole.

Molecular Properties

Compound Name1-benzyl-6-fluoro-4-phenylmethoxyindole
PubChem CID141202922
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name1-benzyl-6-fluoro-4-phenylmethoxyindole
SMILESFc1cc(OCc2ccccc2)c2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C22H18FNO/c23-19-13-21-20(11-12-24(21)15-17-7-3-1-4-8-17)22(14-19)25-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyCBEMXPCCVSZVMQ-UHFFFAOYSA-N
XLogP5.41
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-bromo-6-fluoroindole
CID 174577859
1-(bromomethyl)-4-phenylmethoxyindole
CID 59096925
1-ethyl-4-phenylmethoxyindole
CID 24776902
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1-[(3-fluorophenyl)methyl]-4-propoxyindole
CID 83166118
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1-(cyclopropylmethyl)-4-phenylmethoxyindole
CID 69006016
4-fluoro-1-methyl-5-phenylmethoxyindole
CID 71034305
(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
CID 164896021
CID 59096793
CID 59096793
1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
CID 84571556

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-fluoro-4-phenylmethoxyindole?
The IUPAC name of 1-benzyl-6-fluoro-4-phenylmethoxyindole (CID 141202922) is 1-benzyl-6-fluoro-4-phenylmethoxyindole.
What is the SMILES notation for 1-benzyl-6-fluoro-4-phenylmethoxyindole?
The canonical SMILES for 1-benzyl-6-fluoro-4-phenylmethoxyindole is Fc1cc(OCc2ccccc2)c2ccn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-fluoro-4-phenylmethoxyindole?
The InChIKey is CBEMXPCCVSZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c23-19-13-21-20(11-12-24(21)15-17-7-3-1-4-8-17)22(14-19)25-16-18-9-5-2-6-10-18/h1-14H,15-16H2.
What are the key properties of 1-benzyl-6-fluoro-4-phenylmethoxyindole?
1-benzyl-6-fluoro-4-phenylmethoxyindole has a molecular weight of 331.39 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-fluoro-4-phenylmethoxyindole is sourced from PubChem (CID 141202922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).