3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol

C18H18FNO — CID 71102425

IUPAC3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol
SMILESCC12CC3=C(C=C1CCC2O)C(c1ccc(F)cc1)N=C3
InChIInChI=1S/C18H18FNO/c1-18-9-12-10-20-17(11-2-5-14(19)6-3-11)15(12)8-13(18)4-7-16(18)21/h2-3,5-6,8,10,16-17,21H,4,7,9H2,1H3
InChIKeyLRRGYFXKWIOMDU-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.74
Rot. Bonds1

About 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol

3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol (PubChem CID 71102425) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol
PubChem CID71102425
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol
SMILESCC12CC3=C(C=C1CCC2O)C(c1ccc(F)cc1)N=C3
InChIInChI=1S/C18H18FNO/c1-18-9-12-10-20-17(11-2-5-14(19)6-3-11)15(12)8-13(18)4-7-16(18)21/h2-3,5-6,8,10,16-17,21H,4,7,9H2,1H3
InChIKeyLRRGYFXKWIOMDU-UHFFFAOYSA-N
XLogP3.74
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol?
The IUPAC name of 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol (CID 71102425) is 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol?
The canonical SMILES for 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol is CC12CC3=C(C=C1CCC2O)C(c1ccc(F)cc1)N=C3.
What is the InChIKey of 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol?
The InChIKey is LRRGYFXKWIOMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-18-9-12-10-20-17(11-2-5-14(19)6-3-11)15(12)8-13(18)4-7-16(18)21/h2-3,5-6,8,10,16-17,21H,4,7,9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol?
3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol has a molecular weight of 283.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7a-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[f]isoindol-7-ol is sourced from PubChem (CID 71102425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).