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

C19H18O2 — CID 57342894

IUPAC9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
SMILESCC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2
InChIInChI=1S/C19H18O2/c1-19(2)10-16(20)15-9-14-13-6-4-3-5-12(13)7-8-17(14)21-18(15)11-19/h3-8H,9-11H2,1-2H3
InChIKeyHZJBBRIGNBBFDZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.42
Rot. Bonds

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

9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one (PubChem CID 57342894) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one.

Molecular Properties

Compound Name9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
PubChem CID57342894
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
SMILESCC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2
InChIInChI=1S/C19H18O2/c1-19(2)10-16(20)15-9-14-13-6-4-3-5-12(13)7-8-17(14)21-18(15)11-19/h3-8H,9-11H2,1-2H3
InChIKeyHZJBBRIGNBBFDZ-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one
CID 25172406
9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 138976712
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 101493789
12-(2-hydroxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 57342720
13-oxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,10,16,18,20-nonaene-15,22-dione
CID 102343916
12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 56839649
3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-1-one
CID 25172407
9,9-dimethyl-12-(4-nitrophenyl)-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 42642778
12H-benzo[a]xanthene;hydrate
CID 174249358
9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one
CID 10084787
10,12-dihydrobenzo[a]xanthen-9-one
CID 68748941
7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one
CID 46210278

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The IUPAC name of 9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one (CID 57342894) is 9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one.
What is the SMILES notation for 9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The canonical SMILES for 9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one is CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1C2.
What is the InChIKey of 9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The InChIKey is HZJBBRIGNBBFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-19(2)10-16(20)15-9-14-13-6-4-3-5-12(13)7-8-17(14)21-18(15)11-19/h3-8H,9-11H2,1-2H3.
What are the key properties of 9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one has a molecular weight of 278.35 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one is sourced from PubChem (CID 57342894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).