4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol

C27H25FINO2 — CID 168755181

IUPAC4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol
SMILESOC1CCC(c2c(I)c3c(OCc4ccccc4)cccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C27H25FINO2/c28-20-11-13-21(14-12-20)30-23-7-4-8-24(32-17-18-5-2-1-3-6-18)25(23)26(29)27(30)19-9-15-22(31)16-10-19/h1-8,11-14,19,22,31H,9-10,15-17H2
InChIKeyOTBDJCPDQJCSIP-UHFFFAOYSA-N
MW541.40 g/mol
LogP6.97
Rot. Bonds5

About 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol

4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol (PubChem CID 168755181) has the molecular formula C27H25FINO2 and a molecular weight of 541.40 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol
PubChem CID168755181
Molecular FormulaC27H25FINO2
Molecular Weight541.40 g/mol
Exact Mass541.09
IUPAC Name4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol
SMILESOC1CCC(c2c(I)c3c(OCc4ccccc4)cccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C27H25FINO2/c28-20-11-13-21(14-12-20)30-23-7-4-8-24(32-17-18-5-2-1-3-6-18)25(23)26(29)27(30)19-9-15-22(31)16-10-19/h1-8,11-14,19,22,31H,9-10,15-17H2
InChIKeyOTBDJCPDQJCSIP-UHFFFAOYSA-N
XLogP6.97
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.40
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexane-1-carbonitrile
CID 166780137
1-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-2-(oxan-4-yl)-4-phenylmethoxyindole
CID 156879230
1-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-2-(oxan-4-yl)-4-phenylmethoxyindole;ethane
CID 156879229
5-fluoro-1-(4-fluoro-3-methylphenyl)-3-iodo-2-(oxan-4-yl)-4-phenylmethoxyindole
CID 166558922
3-[1-(4-fluorophenyl)-3-methyl-4-phenylmethoxyindol-2-yl]-2,2-dimethylpropanenitrile
CID 156879116
ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 163370228
2-fluoro-4-[1-(4-fluorophenyl)-4-phenylmethoxy-2-(trifluoromethyl)indol-3-yl]benzoic acid
CID 156878987
4-[[1-(4-fluorophenyl)-5-methyl-2-(oxan-4-yl)-4-phenylmethoxyindol-3-yl]methyl]benzoic acid
CID 175398527
2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole
CID 168755173
ethane;3-methyl-1-(2-methyl-4-pyridinyl)-2-(oxan-4-yl)-4-phenylmethoxyindole
CID 156878996
4-[2-(1,1-difluoro-2-methoxyethyl)-1-(4-fluorophenyl)-4-phenylmethoxyindol-3-yl]benzoic acid
CID 156878621
4-[[1-(4-fluorophenyl)-2-(4-hydroxy-2-methylbutan-2-yl)-4-phenylmethoxyindol-3-yl]methyl]benzoic acid
CID 175398700

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol (CID 168755181) is 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol is OC1CCC(c2c(I)c3c(OCc4ccccc4)cccc3n2-c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol?
The InChIKey is OTBDJCPDQJCSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FINO2/c28-20-11-13-21(14-12-20)30-23-7-4-8-24(32-17-18-5-2-1-3-6-18)25(23)26(29)27(30)19-9-15-22(31)16-10-19/h1-8,11-14,19,22,31H,9-10,15-17H2.
What are the key properties of 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol?
4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol has a molecular weight of 541.40 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-3-iodo-4-phenylmethoxyindol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 168755181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).