3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one

C22H18O6 — CID 118735528

IUPAC3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3)oc12
InChIInChI=1S/C22H18O6/c1-25-14-9-10-15(26-2)18-17(14)16(27-3)11-13-19(23)20(24)21(28-22(13)18)12-7-5-4-6-8-12/h4-11,24H,1-3H3
InChIKeyHXJOOLUGRMJHGB-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.34
Rot. Bonds4

About 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one

3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one (PubChem CID 118735528) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
PubChem CID118735528
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3)oc12
InChIInChI=1S/C22H18O6/c1-25-14-9-10-15(26-2)18-17(14)16(27-3)11-13-19(23)20(24)21(28-22(13)18)12-7-5-4-6-8-12/h4-11,24H,1-3H3
InChIKeyHXJOOLUGRMJHGB-UHFFFAOYSA-N
XLogP4.34
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
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 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one?
The IUPAC name of 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one (CID 118735528) is 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one.
What is the SMILES notation for 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one?
The canonical SMILES for 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3)oc12.
What is the InChIKey of 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one?
The InChIKey is HXJOOLUGRMJHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c1-25-14-9-10-15(26-2)18-17(14)16(27-3)11-13-19(23)20(24)21(28-22(13)18)12-7-5-4-6-8-12/h4-11,24H,1-3H3.
What are the key properties of 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one?
3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one has a molecular weight of 378.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one is sourced from PubChem (CID 118735528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).