2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde

C21H16O6 — CID 10384147

IUPAC2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde
SMILESCOc1cc2c(cc1OC)-c1c(c(C=O)cc3ccc(O)c(OC)c13)C2=O
InChIInChI=1S/C21H16O6/c1-25-15-7-12-13(8-16(15)26-2)20(24)17-11(9-22)6-10-4-5-14(23)21(27-3)18(10)19(12)17/h4-9,23H,1-3H3
InChIKeyQVEOPFCOJVKSRP-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.60
Rot. Bonds4

About 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde

2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde (PubChem CID 10384147) has the molecular formula C21H16O6 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde
PubChem CID10384147
Molecular FormulaC21H16O6
Molecular Weight364.35 g/mol
Exact Mass364.09
IUPAC Name2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde
SMILESCOc1cc2c(cc1OC)-c1c(c(C=O)cc3ccc(O)c(OC)c13)C2=O
InChIInChI=1S/C21H16O6/c1-25-15-7-12-13(8-16(15)26-2)20(24)17-11(9-22)6-10-4-5-14(23)21(27-3)18(10)19(12)17/h4-9,23H,1-3H3
InChIKeyQVEOPFCOJVKSRP-UHFFFAOYSA-N
XLogP3.60
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde?
The IUPAC name of 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde (CID 10384147) is 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde.
What is the SMILES notation for 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde?
The canonical SMILES for 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde is COc1cc2c(cc1OC)-c1c(c(C=O)cc3ccc(O)c(OC)c13)C2=O.
What is the InChIKey of 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde?
The InChIKey is QVEOPFCOJVKSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O6/c1-25-15-7-12-13(8-16(15)26-2)20(24)17-11(9-22)6-10-4-5-14(23)21(27-3)18(10)19(12)17/h4-9,23H,1-3H3.
What are the key properties of 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde?
2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde has a molecular weight of 364.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,9,10-trimethoxy-7-oxobenzo[c]fluorene-6-carbaldehyde is sourced from PubChem (CID 10384147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).