1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol

C23H26FNO2 — CID 156877324

IUPAC1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol
SMILESCc1cc(-n2c(C(C)C)c(C3CC(CO)C3)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C23H26FNO2/c1-13(2)23-22(16-9-15(10-16)12-26)19-11-18(27)5-7-21(19)25(23)17-4-6-20(24)14(3)8-17/h4-8,11,13,15-16,26-27H,9-10,12H2,1-3H3
InChIKeyBHERDCZEYQLIFX-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.39
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol

1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol (PubChem CID 156877324) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol
PubChem CID156877324
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol
SMILESCc1cc(-n2c(C(C)C)c(C3CC(CO)C3)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C23H26FNO2/c1-13(2)23-22(16-9-15(10-16)12-26)19-11-18(27)5-7-21(19)25(23)17-4-6-20(24)14(3)8-17/h4-8,11,13,15-16,26-27H,9-10,12H2,1-3H3
InChIKeyBHERDCZEYQLIFX-UHFFFAOYSA-N
XLogP5.39
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol 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

3-[3-(2,3-dihydro-1H-tetrazol-5-yl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
CID 166779795
1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol
CID 170338633
3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide
CID 169303411
3-[2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]ethyl]-3-methylcyclobutane-1-carboxylic acid
CID 156877275
3-[1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide
CID 156877126
4-[1-(4-fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclohexane-1-carboxylic acid
CID 166779776
1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
CID 156877251
2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid
CID 156877319
(E)-1-[(3R)-3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopentyl]ethene-1,2-diol
CID 166782511
3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylcyclobutane-1-carboxylic acid
CID 166782427
4-[[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-(oxan-4-yl)indol-3-yl]methyl]cyclohexane-1-carboxylic acid
CID 156877583
3-[[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-(oxan-4-yl)indol-3-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 169303393

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol (CID 156877324) is 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol is Cc1cc(-n2c(C(C)C)c(C3CC(CO)C3)c3cc(O)ccc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol?
The InChIKey is BHERDCZEYQLIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-13(2)23-22(16-9-15(10-16)12-26)19-11-18(27)5-7-21(19)25(23)17-4-6-20(24)14(3)8-17/h4-8,11,13,15-16,26-27H,9-10,12H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol?
1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol has a molecular weight of 367.46 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol is sourced from PubChem (CID 156877324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).