2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol

C24H25NO4 — CID 56659343

IUPAC2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)C=CC(C)(COCc1cc(-c3ccccc3)no1)O2
InChIInChI=1S/C24H25NO4/c1-15-16(2)23-20(17(3)22(15)26)10-11-24(4,28-23)14-27-13-19-12-21(25-29-19)18-8-6-5-7-9-18/h5-12,26H,13-14H2,1-4H3
InChIKeySFQFMHMLYCJHFO-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.35
Rot. Bonds5

About 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol

2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol (PubChem CID 56659343) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol
PubChem CID56659343
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)C=CC(C)(COCc1cc(-c3ccccc3)no1)O2
InChIInChI=1S/C24H25NO4/c1-15-16(2)23-20(17(3)22(15)26)10-11-24(4,28-23)14-27-13-19-12-21(25-29-19)18-8-6-5-7-9-18/h5-12,26H,13-14H2,1-4H3
InChIKeySFQFMHMLYCJHFO-UHFFFAOYSA-N
XLogP5.35
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol (CID 56659343) is 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol is Cc1c(C)c2c(c(C)c1O)C=CC(C)(COCc1cc(-c3ccccc3)no1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol?
The InChIKey is SFQFMHMLYCJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-15-16(2)23-20(17(3)22(15)26)10-11-24(4,28-23)14-27-13-19-12-21(25-29-19)18-8-6-5-7-9-18/h5-12,26H,13-14H2,1-4H3.
What are the key properties of 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol?
2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol has a molecular weight of 391.47 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methoxymethyl]chromen-6-ol is sourced from PubChem (CID 56659343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).