2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one

C26H21FO — CID 73212085

IUPAC2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)C(=O)C(C1=C(c3ccccc3F)Cc3ccc(C)cc31)C2
InChIInChI=1S/C26H21FO/c1-15-7-9-17-13-22(19-5-3-4-6-24(19)27)25(20(17)11-15)23-14-18-10-8-16(2)12-21(18)26(23)28/h3-12,23H,13-14H2,1-2H3
InChIKeyDNAKLTTWMJNYEB-UHFFFAOYSA-N
MW368.45 g/mol
LogP5.96
Rot. Bonds2

About 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one

2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one (PubChem CID 73212085) has the molecular formula C26H21FO and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one
PubChem CID73212085
Molecular FormulaC26H21FO
Molecular Weight368.45 g/mol
Exact Mass368.16
IUPAC Name2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)C(=O)C(C1=C(c3ccccc3F)Cc3ccc(C)cc31)C2
InChIInChI=1S/C26H21FO/c1-15-7-9-17-13-22(19-5-3-4-6-24(19)27)25(20(17)11-15)23-14-18-10-8-16(2)12-21(18)26(23)28/h3-12,23H,13-14H2,1-2H3
InChIKeyDNAKLTTWMJNYEB-UHFFFAOYSA-N
XLogP5.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 6719
Celestolide
CID 61585
Fluindione
CID 68942
1-Acenaphthenone
CID 75229
Phantolide
CID 47167
Traseolide
CID 50256
Methanone, 9H-fluoren-2-ylphenyl-
CID 97070
Benzo[b]fluoren-11-one
CID 18311
2-Acetylfluorene
CID 69908
2,4,6-Trimethylbenzophenone
CID 70380
2-(4-Methylphenyl)-1H-indene-1,3(2H)-dione
CID 202148
1-Indanone, 3-phenyl-
CID 98146

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one (CID 73212085) is 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one is Cc1ccc2c(c1)C(=O)C(C1=C(c3ccccc3F)Cc3ccc(C)cc31)C2.
What is the InChIKey of 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one?
The InChIKey is DNAKLTTWMJNYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FO/c1-15-7-9-17-13-22(19-5-3-4-6-24(19)27)25(20(17)11-15)23-14-18-10-8-16(2)12-21(18)26(23)28/h3-12,23H,13-14H2,1-2H3.
What are the key properties of 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one?
2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one has a molecular weight of 368.45 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-6-methyl-3H-inden-1-yl]-6-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 73212085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).