8-(hydroxymethyl)-7-methoxychromen-2-one

C11H10O4 — CID 1051542

IUPAC8-(hydroxymethyl)-7-methoxychromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1CO
InChIInChI=1S/C11H10O4/c1-14-9-4-2-7-3-5-10(13)15-11(7)8(9)6-12/h2-5,12H,6H2,1H3
InChIKeyLKHUOTSOCUDANT-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.29
Rot. Bonds2

About 8-(hydroxymethyl)-7-methoxychromen-2-one

8-(hydroxymethyl)-7-methoxychromen-2-one (PubChem CID 1051542) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 8-(hydroxymethyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-7-methoxychromen-2-one
PubChem CID1051542
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name8-(hydroxymethyl)-7-methoxychromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1CO
InChIInChI=1S/C11H10O4/c1-14-9-4-2-7-3-5-10(13)15-11(7)8(9)6-12/h2-5,12H,6H2,1H3
InChIKeyLKHUOTSOCUDANT-UHFFFAOYSA-N
XLogP1.29
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-7-methoxychromen-2-one?
The IUPAC name of 8-(hydroxymethyl)-7-methoxychromen-2-one (CID 1051542) is 8-(hydroxymethyl)-7-methoxychromen-2-one.
What is the SMILES notation for 8-(hydroxymethyl)-7-methoxychromen-2-one?
The canonical SMILES for 8-(hydroxymethyl)-7-methoxychromen-2-one is COc1ccc2ccc(=O)oc2c1CO.
What is the InChIKey of 8-(hydroxymethyl)-7-methoxychromen-2-one?
The InChIKey is LKHUOTSOCUDANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-9-4-2-7-3-5-10(13)15-11(7)8(9)6-12/h2-5,12H,6H2,1H3.
What are the key properties of 8-(hydroxymethyl)-7-methoxychromen-2-one?
8-(hydroxymethyl)-7-methoxychromen-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-7-methoxychromen-2-one is sourced from PubChem (CID 1051542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).