6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one

C18H16O4 — CID 21470696

IUPAC6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one
SMILESCOc1c2ccc(-c3ccccc3)oc-2c(C)c(=O)c1CO
InChIInChI=1S/C18H16O4/c1-11-16(20)14(10-19)18(21-2)13-8-9-15(22-17(11)13)12-6-4-3-5-7-12/h3-9,19H,10H2,1-2H3
InChIKeyFUESASCBNJRSNR-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.22
Rot. Bonds3

About 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one

6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one (PubChem CID 21470696) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one
PubChem CID21470696
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one
SMILESCOc1c2ccc(-c3ccccc3)oc-2c(C)c(=O)c1CO
InChIInChI=1S/C18H16O4/c1-11-16(20)14(10-19)18(21-2)13-8-9-15(22-17(11)13)12-6-4-3-5-7-12/h3-9,19H,10H2,1-2H3
InChIKeyFUESASCBNJRSNR-UHFFFAOYSA-N
XLogP3.22
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one?
The IUPAC name of 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one (CID 21470696) is 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one.
What is the SMILES notation for 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one?
The canonical SMILES for 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one is COc1c2ccc(-c3ccccc3)oc-2c(C)c(=O)c1CO.
What is the InChIKey of 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one?
The InChIKey is FUESASCBNJRSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-16(20)14(10-19)18(21-2)13-8-9-15(22-17(11)13)12-6-4-3-5-7-12/h3-9,19H,10H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one?
6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one has a molecular weight of 296.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-methoxy-8-methyl-2-phenylchromen-7-one is sourced from PubChem (CID 21470696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).