5,7,8-trimethoxy-3-phenylchromen-2-one

C18H16O5 — CID 134912099

IUPAC5,7,8-trimethoxy-3-phenylchromen-2-one
SMILESCOc1cc(OC)c2cc(-c3ccccc3)c(=O)oc2c1OC
InChIInChI=1S/C18H16O5/c1-20-14-10-15(21-2)17(22-3)16-13(14)9-12(18(19)23-16)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyZNUDSYIQFRDKDN-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.49
Rot. Bonds4

About 5,7,8-trimethoxy-3-phenylchromen-2-one

5,7,8-trimethoxy-3-phenylchromen-2-one (PubChem CID 134912099) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 5,7,8-trimethoxy-3-phenylchromen-2-one.

Molecular Properties

Compound Name5,7,8-trimethoxy-3-phenylchromen-2-one
PubChem CID134912099
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name5,7,8-trimethoxy-3-phenylchromen-2-one
SMILESCOc1cc(OC)c2cc(-c3ccccc3)c(=O)oc2c1OC
InChIInChI=1S/C18H16O5/c1-20-14-10-15(21-2)17(22-3)16-13(14)9-12(18(19)23-16)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyZNUDSYIQFRDKDN-UHFFFAOYSA-N
XLogP3.49
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethoxy-3-phenylchromen-2-one?
The IUPAC name of 5,7,8-trimethoxy-3-phenylchromen-2-one (CID 134912099) is 5,7,8-trimethoxy-3-phenylchromen-2-one.
What is the SMILES notation for 5,7,8-trimethoxy-3-phenylchromen-2-one?
The canonical SMILES for 5,7,8-trimethoxy-3-phenylchromen-2-one is COc1cc(OC)c2cc(-c3ccccc3)c(=O)oc2c1OC.
What is the InChIKey of 5,7,8-trimethoxy-3-phenylchromen-2-one?
The InChIKey is ZNUDSYIQFRDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-14-10-15(21-2)17(22-3)16-13(14)9-12(18(19)23-16)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 5,7,8-trimethoxy-3-phenylchromen-2-one?
5,7,8-trimethoxy-3-phenylchromen-2-one has a molecular weight of 312.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethoxy-3-phenylchromen-2-one is sourced from PubChem (CID 134912099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).