1,2,3,4,7-pentamethoxy-10H-anthracen-9-one

C19H20O6 — CID 141406927

IUPAC1,2,3,4,7-pentamethoxy-10H-anthracen-9-one
SMILESCOc1ccc2c(c1)C(=O)c1c(c(OC)c(OC)c(OC)c1OC)C2
InChIInChI=1S/C19H20O6/c1-21-11-7-6-10-8-13-14(15(20)12(10)9-11)17(23-3)19(25-5)18(24-4)16(13)22-2/h6-7,9H,8H2,1-5H3
InChIKeyNAOHVJFKOCCBMA-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.86
Rot. Bonds5

About 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one

1,2,3,4,7-pentamethoxy-10H-anthracen-9-one (PubChem CID 141406927) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one.

Molecular Properties

Compound Name1,2,3,4,7-pentamethoxy-10H-anthracen-9-one
PubChem CID141406927
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1,2,3,4,7-pentamethoxy-10H-anthracen-9-one
SMILESCOc1ccc2c(c1)C(=O)c1c(c(OC)c(OC)c(OC)c1OC)C2
InChIInChI=1S/C19H20O6/c1-21-11-7-6-10-8-13-14(15(20)12(10)9-11)17(23-3)19(25-5)18(24-4)16(13)22-2/h6-7,9H,8H2,1-5H3
InChIKeyNAOHVJFKOCCBMA-UHFFFAOYSA-N
XLogP2.86
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 142018270
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(2Z)-6-methoxy-2-(1-pyridin-4-ylethylidene)-3H-inden-1-one
CID 643858
3,4,7-trimethoxy-9H-fluoren-2-ol
CID 174383532
1-amino-7-methoxy-4H-isoquinolin-3-one
CID 58443117
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CID 90841573
2-hydroxyimino-6-methoxy-3H-inden-1-one;6-methoxy-2,3-dihydroinden-1-one
CID 130407306
5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene
CID 142087805
9-methoxy-11H-benzo[a]fluorene
CID 13401823
3-methoxy-5-methyl-9H-fluorene
CID 14977721
7-methoxy-10H-phenanthren-9-one
CID 135042116
2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde
CID 20616848

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one?
The IUPAC name of 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one (CID 141406927) is 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one.
What is the SMILES notation for 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one?
The canonical SMILES for 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one is COc1ccc2c(c1)C(=O)c1c(c(OC)c(OC)c(OC)c1OC)C2.
What is the InChIKey of 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one?
The InChIKey is NAOHVJFKOCCBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-21-11-7-6-10-8-13-14(15(20)12(10)9-11)17(23-3)19(25-5)18(24-4)16(13)22-2/h6-7,9H,8H2,1-5H3.
What are the key properties of 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one?
1,2,3,4,7-pentamethoxy-10H-anthracen-9-one has a molecular weight of 344.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7-pentamethoxy-10H-anthracen-9-one is sourced from PubChem (CID 141406927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).