6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one

C23H20O6 — CID 118735521

IUPAC6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1
InChIInChI=1S/C23H20O6/c1-25-14-7-5-13(6-8-14)19-12-16(24)15-11-20(28-4)21-17(26-2)9-10-18(27-3)22(21)23(15)29-19/h5-12H,1-4H3
InChIKeyKUFABZUNUBSUDC-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.65
Rot. Bonds5

About 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one

6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one (PubChem CID 118735521) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one
PubChem CID118735521
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1
InChIInChI=1S/C23H20O6/c1-25-14-7-5-13(6-8-14)19-12-16(24)15-11-20(28-4)21-17(26-2)9-10-18(27-3)22(21)23(15)29-19/h5-12H,1-4H3
InChIKeyKUFABZUNUBSUDC-UHFFFAOYSA-N
XLogP4.65
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one?
The IUPAC name of 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one (CID 118735521) is 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one?
The canonical SMILES for 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one is COc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1.
What is the InChIKey of 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one?
The InChIKey is KUFABZUNUBSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O6/c1-25-14-7-5-13(6-8-14)19-12-16(24)15-11-20(28-4)21-17(26-2)9-10-18(27-3)22(21)23(15)29-19/h5-12H,1-4H3.
What are the key properties of 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one?
6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one has a molecular weight of 392.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 118735521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).