12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one

C26H24O3 — CID 101493789

IUPAC12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ccc4ccccc4c32)cc1
InChIInChI=1S/C26H24O3/c1-26(2)14-20(27)25-22(15-26)29-21-13-10-16-6-4-5-7-19(16)24(21)23(25)17-8-11-18(28-3)12-9-17/h4-13,23H,14-15H2,1-3H3
InChIKeyKWUNEYBBGDQKMO-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.02
Rot. Bonds2

About 12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one

12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one (PubChem CID 101493789) has the molecular formula C26H24O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one.

Molecular Properties

Compound Name12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
PubChem CID101493789
Molecular FormulaC26H24O3
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Name12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ccc4ccccc4c32)cc1
InChIInChI=1S/C26H24O3/c1-26(2)14-20(27)25-22(15-26)29-21-13-10-16-6-4-5-7-19(16)24(21)23(25)17-8-11-18(28-3)12-9-17/h4-13,23H,14-15H2,1-3H3
InChIKeyKWUNEYBBGDQKMO-UHFFFAOYSA-N
XLogP6.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-12-(4-nitrophenyl)-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 42642778
2-methoxy-9,9-dimethyl-12-(4-nitrophenyl)-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 56964203
12-(2-hydroxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 57342720
22-amino-2-(4-methoxyphenyl)-18,18-dimethyl-13-oxa-15-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16(21)-octaen-20-one
CID 139218109
12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 56839649
9,9-dimethyl-12-propyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 138976712
12-(3,4-dimethoxyphenyl)-3-hydroxy-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 102098013
(9S)-9-(4-methoxyphenyl)-5,5-dimethyl-13-(naphthalen-2-yloxymethyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 2001869
(9S)-9-(4-methoxyphenyl)-5,5-dimethyl-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 2024583
7-(4-methoxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 4261678
7-(4-chlorophenyl)-10,10-dimethyl-9,11-dihydro-7H-naphtho[1,2-b]chromen-8-one
CID 46210278
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-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The IUPAC name of 12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one (CID 101493789) is 12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one.
What is the SMILES notation for 12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The canonical SMILES for 12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one is COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ccc4ccccc4c32)cc1.
What is the InChIKey of 12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
The InChIKey is KWUNEYBBGDQKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O3/c1-26(2)14-20(27)25-22(15-26)29-21-13-10-16-6-4-5-7-19(16)24(21)23(25)17-8-11-18(28-3)12-9-17/h4-13,23H,14-15H2,1-3H3.
What are the key properties of 12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one?
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one has a molecular weight of 384.48 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one is sourced from PubChem (CID 101493789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).