9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one

C22H24O2 — CID 138976712

IUPAC9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
SMILESCCCC1C2=C(CC(C)(C)CC2=O)Oc2ccc3ccccc3c21
InChIInChI=1S/C22H24O2/c1-4-7-16-20-15-9-6-5-8-14(15)10-11-18(20)24-19-13-22(2,3)12-17(23)21(16)19/h5-6,8-11,16H,4,7,12-13H2,1-3H3
InChIKeyADJATMLVDMXFNM-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.76
Rot. Bonds2

About 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one

9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one (PubChem CID 138976712) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one.

Molecular Properties

Compound Name9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
PubChem CID138976712
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
SMILESCCCC1C2=C(CC(C)(C)CC2=O)Oc2ccc3ccccc3c21
InChIInChI=1S/C22H24O2/c1-4-7-16-20-15-9-6-5-8-14(15)10-11-18(20)24-19-13-22(2,3)12-17(23)21(16)19/h5-6,8-11,16H,4,7,12-13H2,1-3H3
InChIKeyADJATMLVDMXFNM-UHFFFAOYSA-N
XLogP5.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.76
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-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 56839649
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-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
3,3-dimethyl-9-propylsulfanyl-4,9-dihydro-2H-xanthen-1-one
CID 102124800
methyl 2-amino-4-(2-ethoxynaphthalen-1-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 3158964
(4R)-2-amino-7,7-dimethyl-5-oxo-4-(2-phenylmethoxynaphthalen-1-yl)-6,8-dihydro-4H-chromene-3-carbonitrile
CID 1017102
7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one
CID 46210278
2-methoxy-9,9-dimethyl-12-(4-nitrophenyl)-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 56964203
12-(3,4-dimethoxyphenyl)-3-hydroxy-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 102098013

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The IUPAC name of 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one (CID 138976712) is 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one.
What is the SMILES notation for 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The canonical SMILES for 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one is CCCC1C2=C(CC(C)(C)CC2=O)Oc2ccc3ccccc3c21.
What is the InChIKey of 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The InChIKey is ADJATMLVDMXFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-4-7-16-20-15-9-6-5-8-14(15)10-11-18(20)24-19-13-22(2,3)12-17(23)21(16)19/h5-6,8-11,16H,4,7,12-13H2,1-3H3.
What are the key properties of 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one has a molecular weight of 320.43 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one is sourced from PubChem (CID 138976712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).