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

C22H18O5 — CID 118735488

IUPAC6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C22H18O5/c1-24-16-9-10-17(25-2)21-20(16)19(26-3)11-14-15(23)12-18(27-22(14)21)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRWKCNXGHHHVDGY-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.64
Rot. Bonds4

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

6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one (PubChem CID 118735488) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
PubChem CID118735488
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C22H18O5/c1-24-16-9-10-17(25-2)21-20(16)19(26-3)11-14-15(23)12-18(27-22(14)21)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRWKCNXGHHHVDGY-UHFFFAOYSA-N
XLogP4.64
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-phenylbenzo[h]chromen-4-one?
The IUPAC name of 6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one (CID 118735488) is 6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one.
What is the SMILES notation for 6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one?
The canonical SMILES for 6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one?
The InChIKey is RWKCNXGHHHVDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-24-16-9-10-17(25-2)21-20(16)19(26-3)11-14-15(23)12-18(27-22(14)21)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one?
6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one has a molecular weight of 362.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one is sourced from PubChem (CID 118735488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).