1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol

C22H21FO2 — CID 132569720

IUPAC1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol
SMILESOC1(C2=C3c4cc(F)ccc4COC3Cc3ccccc32)CCCC1
InChIInChI=1S/C22H21FO2/c23-16-8-7-15-13-25-19-11-14-5-1-2-6-17(14)21(20(19)18(15)12-16)22(24)9-3-4-10-22/h1-2,5-8,12,19,24H,3-4,9-11,13H2
InChIKeyXUTWUHHPLJZRFF-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.50
Rot. Bonds1

About 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol

1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol (PubChem CID 132569720) has the molecular formula C22H21FO2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol
PubChem CID132569720
Molecular FormulaC22H21FO2
Molecular Weight336.41 g/mol
Exact Mass336.15
IUPAC Name1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol
SMILESOC1(C2=C3c4cc(F)ccc4COC3Cc3ccccc32)CCCC1
InChIInChI=1S/C22H21FO2/c23-16-8-7-15-13-25-19-11-14-5-1-2-6-17(14)21(20(19)18(15)12-16)22(24)9-3-4-10-22/h1-2,5-8,12,19,24H,3-4,9-11,13H2
InChIKeyXUTWUHHPLJZRFF-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol?
The IUPAC name of 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol (CID 132569720) is 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol is OC1(C2=C3c4cc(F)ccc4COC3Cc3ccccc32)CCCC1.
What is the InChIKey of 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol?
The InChIKey is XUTWUHHPLJZRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FO2/c23-16-8-7-15-13-25-19-11-14-5-1-2-6-17(14)21(20(19)18(15)12-16)22(24)9-3-4-10-22/h1-2,5-8,12,19,24H,3-4,9-11,13H2.
What are the key properties of 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol?
1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol has a molecular weight of 336.41 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6a,7-dihydro-5H-naphtho[3,2-c]isochromen-12-yl)cyclopentan-1-ol is sourced from PubChem (CID 132569720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).