1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol

C18H18FNO — CID 156877251

IUPAC1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
SMILESCc1cc(-n2c(C(C)C)cc3cc(O)ccc32)ccc1F
InChIInChI=1S/C18H18FNO/c1-11(2)18-10-13-9-15(21)5-7-17(13)20(18)14-4-6-16(19)12(3)8-14/h4-11,21H,1-3H3
InChIKeyOIOBUHBNBGYSFC-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.91
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol

1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol (PubChem CID 156877251) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
PubChem CID156877251
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
SMILESCc1cc(-n2c(C(C)C)cc3cc(O)ccc32)ccc1F
InChIInChI=1S/C18H18FNO/c1-11(2)18-10-13-9-15(21)5-7-17(13)20(18)14-4-6-16(19)12(3)8-14/h4-11,21H,1-3H3
InChIKeyOIOBUHBNBGYSFC-UHFFFAOYSA-N
XLogP4.91
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-3-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol (CID 156877251) is 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol is Cc1cc(-n2c(C(C)C)cc3cc(O)ccc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol?
The InChIKey is OIOBUHBNBGYSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-11(2)18-10-13-9-15(21)5-7-17(13)20(18)14-4-6-16(19)12(3)8-14/h4-11,21H,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol?
1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol has a molecular weight of 283.35 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol is sourced from PubChem (CID 156877251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).