3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one

C19H14O5 — CID 141464819

IUPAC3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
SMILESCOc1ccccc1-c1oc2c(ccc3occ(C)c32)c(=O)c1O
InChIInChI=1S/C19H14O5/c1-10-9-23-14-8-7-12-16(20)17(21)19(24-18(12)15(10)14)11-5-3-4-6-13(11)22-2/h3-9,21H,1-2H3
InChIKeyHLMSKVVYEKHSIC-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.23
Rot. Bonds2

About 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one

3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one (PubChem CID 141464819) has the molecular formula C19H14O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
PubChem CID141464819
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
SMILESCOc1ccccc1-c1oc2c(ccc3occ(C)c32)c(=O)c1O
InChIInChI=1S/C19H14O5/c1-10-9-23-14-8-7-12-16(20)17(21)19(24-18(12)15(10)14)11-5-3-4-6-13(11)22-2/h3-9,21H,1-2H3
InChIKeyHLMSKVVYEKHSIC-UHFFFAOYSA-N
XLogP4.23
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one?
The IUPAC name of 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one (CID 141464819) is 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one?
The canonical SMILES for 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one is COc1ccccc1-c1oc2c(ccc3occ(C)c32)c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one?
The InChIKey is HLMSKVVYEKHSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O5/c1-10-9-23-14-8-7-12-16(20)17(21)19(24-18(12)15(10)14)11-5-3-4-6-13(11)22-2/h3-9,21H,1-2H3.
What are the key properties of 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one?
3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one has a molecular weight of 322.32 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one is sourced from PubChem (CID 141464819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).