5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one

C19H18O5 — CID 6728948

IUPAC5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3ccccc3)c(C)oc2c1OC
InChIInChI=1S/C19H18O5/c1-11-15(12-8-6-5-7-9-12)17(20)16-13(21-2)10-14(22-3)18(23-4)19(16)24-11/h5-10H,1-4H3
InChIKeyBFCBHPPLWHZOIQ-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.79
Rot. Bonds4

About 5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one

5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one (PubChem CID 6728948) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one
PubChem CID6728948
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3ccccc3)c(C)oc2c1OC
InChIInChI=1S/C19H18O5/c1-11-15(12-8-6-5-7-9-12)17(20)16-13(21-2)10-14(22-3)18(23-4)19(16)24-11/h5-10H,1-4H3
InChIKeyBFCBHPPLWHZOIQ-UHFFFAOYSA-N
XLogP3.79
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one?
The IUPAC name of 5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one (CID 6728948) is 5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one.
What is the SMILES notation for 5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one?
The canonical SMILES for 5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one is COc1cc(OC)c2c(=O)c(-c3ccccc3)c(C)oc2c1OC.
What is the InChIKey of 5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one?
The InChIKey is BFCBHPPLWHZOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-11-15(12-8-6-5-7-9-12)17(20)16-13(21-2)10-14(22-3)18(23-4)19(16)24-11/h5-10H,1-4H3.
What are the key properties of 5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one?
5,7,8-trimethoxy-2-methyl-3-phenylchromen-4-one has a molecular weight of 326.35 g/mol, XLogP of 3.79, 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-2-methyl-3-phenylchromen-4-one is sourced from PubChem (CID 6728948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).