7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole

C24H24F3NO2 — CID 141379893

IUPAC7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESFC(F)(F)c1cc(COc2ccc3[nH]c4c(c3c2)CCC4)ccc1OC1CCCC1
InChIInChI=1S/C24H24F3NO2/c25-24(26,27)20-12-15(8-11-23(20)30-16-4-1-2-5-16)14-29-17-9-10-22-19(13-17)18-6-3-7-21(18)28-22/h8-13,16,28H,1-7,14H2
InChIKeyBQUGNONZAWZPOG-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.58
Rot. Bonds5

About 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole

7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 141379893) has the molecular formula C24H24F3NO2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID141379893
Molecular FormulaC24H24F3NO2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESFC(F)(F)c1cc(COc2ccc3[nH]c4c(c3c2)CCC4)ccc1OC1CCCC1
InChIInChI=1S/C24H24F3NO2/c25-24(26,27)20-12-15(8-11-23(20)30-16-4-1-2-5-16)14-29-17-9-10-22-19(13-17)18-6-3-7-21(18)28-22/h8-13,16,28H,1-7,14H2
InChIKeyBQUGNONZAWZPOG-UHFFFAOYSA-N
XLogP6.58
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-1-cyclopentyloxy-2-(trifluoromethyl)benzene;ethyl 3-[5-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]propanoate
CID 163650538
2-[(3R)-7-[[4-methyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 166820740
2-[(3S)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 44624067
2-ethoxy-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
CID 107958588
2-[(3R)-7-[[4-[(1S,2S)-2-hydroxycyclopentyl]-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 156769161
methyl 2-[7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate
CID 67250606
2-[(3R)-7-[[4-[(1S,2R)-2-hydroxycyclopentyl]-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 156769160
1-[[4-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methyl]azetidine-3-carboxylic acid
CID 146669400
methyl 3-[5-[(4-cyclopentyloxy-3-methylphenyl)methoxy]-3-methyl-1H-indol-2-yl]propanoate
CID 163965102
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
6-phenylmethoxy-1-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3677572
4-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-methyl-1H-indol-2-yl]butan-2-one
CID 170051485

Frequently Asked Questions

What is the IUPAC name of 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 141379893) is 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole is FC(F)(F)c1cc(COc2ccc3[nH]c4c(c3c2)CCC4)ccc1OC1CCCC1.
What is the InChIKey of 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is BQUGNONZAWZPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2/c25-24(26,27)20-12-15(8-11-23(20)30-16-4-1-2-5-16)14-29-17-9-10-22-19(13-17)18-6-3-7-21(18)28-22/h8-13,16,28H,1-7,14H2.
What are the key properties of 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole?
7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 415.46 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 141379893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).