1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol

C26H30FNO — CID 170338633

IUPAC1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol
SMILESCc1cc(-n2c(C(C)C)c(C3CC4(CC(C)C4)C3)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C26H30FNO/c1-15(2)25-24(18-13-26(14-18)11-16(3)12-26)21-10-20(29)6-8-23(21)28(25)19-5-7-22(27)17(4)9-19/h5-10,15-16,18,29H,11-14H2,1-4H3
InChIKeyRMWIUDKORVFAMG-UHFFFAOYSA-N
MW391.53 g/mol
LogP7.20
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol

1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol (PubChem CID 170338633) has the molecular formula C26H30FNO and a molecular weight of 391.53 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol
PubChem CID170338633
Molecular FormulaC26H30FNO
Molecular Weight391.53 g/mol
Exact Mass391.23
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol
SMILESCc1cc(-n2c(C(C)C)c(C3CC4(CC(C)C4)C3)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C26H30FNO/c1-15(2)25-24(18-13-26(14-18)11-16(3)12-26)21-10-20(29)6-8-23(21)28(25)19-5-7-22(27)17(4)9-19/h5-10,15-16,18,29H,11-14H2,1-4H3
InChIKeyRMWIUDKORVFAMG-UHFFFAOYSA-N
XLogP7.20
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.53
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-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)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol (CID 170338633) is 1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol is Cc1cc(-n2c(C(C)C)c(C3CC4(CC(C)C4)C3)c3cc(O)ccc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol?
The InChIKey is RMWIUDKORVFAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNO/c1-15(2)25-24(18-13-26(14-18)11-16(3)12-26)21-10-20(29)6-8-23(21)28(25)19-5-7-22(27)17(4)9-19/h5-10,15-16,18,29H,11-14H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol?
1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol has a molecular weight of 391.53 g/mol, XLogP of 7.20, 3 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)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol is sourced from PubChem (CID 170338633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).