12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene

C26H22O4 — CID 45258152

IUPAC12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene
SMILESCOc1ccc(C2c3ccc(OC)cc3Oc3ccc4ccccc4c32)c(OC)c1
InChIInChI=1S/C26H22O4/c1-27-17-9-11-20(23(14-17)29-3)25-21-12-10-18(28-2)15-24(21)30-22-13-8-16-6-4-5-7-19(16)26(22)25/h4-15,25H,1-3H3
InChIKeyUBEGITVZHQDGNK-UHFFFAOYSA-N
MW398.46 g/mol
LogP6.15
Rot. Bonds4

About 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene

12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene (PubChem CID 45258152) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene.

Molecular Properties

Compound Name12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene
PubChem CID45258152
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene
SMILESCOc1ccc(C2c3ccc(OC)cc3Oc3ccc4ccccc4c32)c(OC)c1
InChIInChI=1S/C26H22O4/c1-27-17-9-11-20(23(14-17)29-3)25-21-12-10-18(28-2)15-24(21)30-22-13-8-16-6-4-5-7-19(16)26(22)25/h4-15,25H,1-3H3
InChIKeyUBEGITVZHQDGNK-UHFFFAOYSA-N
XLogP6.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
CID 154964818
(1S)-3-amino-1-(2-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968492
1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane
CID 163516213
2-(4-methoxyphenyl)-6-(naphthalen-2-yloxymethyl)-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 4244846
(2R)-2-(4-methoxyphenyl)-6-naphthalen-1-yl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 41134361
9-methoxy-11-phenyl-11H-benzo[a]fluorene
CID 121348426
(1R)-3-amino-1-(2,3-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 8613806
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline
CID 45258388
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 101493789
12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane;4-methoxyphenol
CID 163852181
2-(3,4-dimethoxyphenyl)-6-(naphthalen-2-yloxymethyl)-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 4922070

Frequently Asked Questions

What is the IUPAC name of 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene?
The IUPAC name of 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene (CID 45258152) is 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene.
What is the SMILES notation for 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene?
The canonical SMILES for 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene is COc1ccc(C2c3ccc(OC)cc3Oc3ccc4ccccc4c32)c(OC)c1.
What is the InChIKey of 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene?
The InChIKey is UBEGITVZHQDGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c1-27-17-9-11-20(23(14-17)29-3)25-21-12-10-18(28-2)15-24(21)30-22-13-8-16-6-4-5-7-19(16)26(22)25/h4-15,25H,1-3H3.
What are the key properties of 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene?
12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene has a molecular weight of 398.46 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene is sourced from PubChem (CID 45258152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).