2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one

C19H11FO2 — CID 134090389

IUPAC2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one
SMILESO=C1C(c2cccc(F)c2)=C(O)c2cc3ccccc3cc21
InChIInChI=1S/C19H11FO2/c20-14-7-3-6-13(8-14)17-18(21)15-9-11-4-1-2-5-12(11)10-16(15)19(17)22/h1-10,21H
InChIKeyKQERYUBDRFELHE-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.60
Rot. Bonds1

About 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one

2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one (PubChem CID 134090389) has the molecular formula C19H11FO2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one
PubChem CID134090389
Molecular FormulaC19H11FO2
Molecular Weight290.29 g/mol
Exact Mass290.07
IUPAC Name2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one
SMILESO=C1C(c2cccc(F)c2)=C(O)c2cc3ccccc3cc21
InChIInChI=1S/C19H11FO2/c20-14-7-3-6-13(8-14)17-18(21)15-9-11-4-1-2-5-12(11)10-16(15)19(17)22/h1-10,21H
InChIKeyKQERYUBDRFELHE-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one?
The IUPAC name of 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one (CID 134090389) is 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one is O=C1C(c2cccc(F)c2)=C(O)c2cc3ccccc3cc21.
What is the InChIKey of 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one?
The InChIKey is KQERYUBDRFELHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FO2/c20-14-7-3-6-13(8-14)17-18(21)15-9-11-4-1-2-5-12(11)10-16(15)19(17)22/h1-10,21H.
What are the key properties of 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one?
2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one has a molecular weight of 290.29 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one is sourced from PubChem (CID 134090389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).