12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one

C25H21FO2 — CID 56839649

IUPAC12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
SMILESCC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccc1F
InChIInChI=1S/C25H21FO2/c1-25(2)13-19(27)24-21(14-25)28-20-12-11-15-7-3-4-8-16(15)22(20)23(24)17-9-5-6-10-18(17)26/h3-12,23H,13-14H2,1-2H3
InChIKeyAYXZNYMCBJVIPR-UHFFFAOYSA-N
MW372.44 g/mol
LogP6.15
Rot. Bonds1

About 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one

12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one (PubChem CID 56839649) has the molecular formula C25H21FO2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one.

Molecular Properties

Compound Name12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
PubChem CID56839649
Molecular FormulaC25H21FO2
Molecular Weight372.44 g/mol
Exact Mass372.15
IUPAC Name12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
SMILESCC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccc1F
InChIInChI=1S/C25H21FO2/c1-25(2)13-19(27)24-21(14-25)28-20-12-11-15-7-3-4-8-16(15)22(20)23(24)17-9-5-6-10-18(17)26/h3-12,23H,13-14H2,1-2H3
InChIKeyAYXZNYMCBJVIPR-UHFFFAOYSA-N
XLogP6.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-(2-hydroxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 57342720
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 101493789
9,9-dimethyl-12-(4-nitrophenyl)-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 42642778
9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 138976712
7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one
CID 46210278
2-methoxyethyl 2-amino-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 3748852
propan-2-yl (4S)-2-amino-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 1005905
(12R)-9,9-dimethyl-12-naphthalen-1-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 7231056
methyl 2-amino-4-(2-ethoxynaphthalen-1-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 3158964
6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione
CID 71734367
9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 57342894
2-amino-4-(2-methoxynaphthalen-1-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 3379028

Frequently Asked Questions

What is the IUPAC name of 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The IUPAC name of 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one (CID 56839649) is 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one.
What is the SMILES notation for 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The canonical SMILES for 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one is CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2c1ccccc1F.
What is the InChIKey of 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The InChIKey is AYXZNYMCBJVIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FO2/c1-25(2)13-19(27)24-21(14-25)28-20-12-11-15-7-3-4-8-16(15)22(20)23(24)17-9-5-6-10-18(17)26/h3-12,23H,13-14H2,1-2H3.
What are the key properties of 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one has a molecular weight of 372.44 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one is sourced from PubChem (CID 56839649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).