8-methoxybenzo[a]xanthen-12-one

C18H12O3 — CID 135193701

IUPAC8-methoxybenzo[a]xanthen-12-one
SMILESCOc1cccc2c(=O)c3c(ccc4ccccc43)oc12
InChIInChI=1S/C18H12O3/c1-20-15-8-4-7-13-17(19)16-12-6-3-2-5-11(12)9-10-14(16)21-18(13)15/h2-10H,1H3
InChIKeyYRYHOLGARNMBAU-UHFFFAOYSA-N
MW276.29 g/mol
LogP4.11
Rot. Bonds1

About 8-methoxybenzo[a]xanthen-12-one

8-methoxybenzo[a]xanthen-12-one (PubChem CID 135193701) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is 8-methoxybenzo[a]xanthen-12-one.

Molecular Properties

Compound Name8-methoxybenzo[a]xanthen-12-one
PubChem CID135193701
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Name8-methoxybenzo[a]xanthen-12-one
SMILESCOc1cccc2c(=O)c3c(ccc4ccccc43)oc12
InChIInChI=1S/C18H12O3/c1-20-15-8-4-7-13-17(19)16-12-6-3-2-5-11(12)9-10-14(16)21-18(13)15/h2-10H,1H3
InChIKeyYRYHOLGARNMBAU-UHFFFAOYSA-N
XLogP4.11
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848
3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
CID 73346146
5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one
CID 71334079
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one
CID 7834384
2-fluoro-11-methoxybenzo[a]xanthen-12-one
CID 135193788
9-fluorobenzo[a]xanthen-12-one
CID 135193713
4-methoxybenzo[b]oxanthrene-6,11-dione
CID 14811969
2,3,4,5-tetramethoxy-1-prop-2-enoxyxanthen-9-one
CID 11280195
3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
CID 5073343
1,3-dihydroxy-5-methoxy-4-prop-2-enylxanthen-9-one
CID 20824988

Frequently Asked Questions

What is the IUPAC name of 8-methoxybenzo[a]xanthen-12-one?
The IUPAC name of 8-methoxybenzo[a]xanthen-12-one (CID 135193701) is 8-methoxybenzo[a]xanthen-12-one.
What is the SMILES notation for 8-methoxybenzo[a]xanthen-12-one?
The canonical SMILES for 8-methoxybenzo[a]xanthen-12-one is COc1cccc2c(=O)c3c(ccc4ccccc43)oc12.
What is the InChIKey of 8-methoxybenzo[a]xanthen-12-one?
The InChIKey is YRYHOLGARNMBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3/c1-20-15-8-4-7-13-17(19)16-12-6-3-2-5-11(12)9-10-14(16)21-18(13)15/h2-10H,1H3.
What are the key properties of 8-methoxybenzo[a]xanthen-12-one?
8-methoxybenzo[a]xanthen-12-one has a molecular weight of 276.29 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxybenzo[a]xanthen-12-one is sourced from PubChem (CID 135193701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).