2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol

C22H23NO3 — CID 56666275

IUPAC2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(c1cc(-c3ccccc3)no1)O2
InChIInChI=1S/C22H23NO3/c1-13-14(2)21-17(15(3)20(13)24)10-11-22(4,25-21)19-12-18(23-26-19)16-8-6-5-7-9-16/h5-9,12,24H,10-11H2,1-4H3
InChIKeyPHBWTVHFQHQPIU-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.21
Rot. Bonds2

About 2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol (PubChem CID 56666275) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol
PubChem CID56666275
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(c1cc(-c3ccccc3)no1)O2
InChIInChI=1S/C22H23NO3/c1-13-14(2)21-17(15(3)20(13)24)10-11-22(4,25-21)19-12-18(23-26-19)16-8-6-5-7-9-16/h5-9,12,24H,10-11H2,1-4H3
InChIKeyPHBWTVHFQHQPIU-UHFFFAOYSA-N
XLogP5.21
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol (CID 56666275) is 2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(c1cc(-c3ccccc3)no1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol?
The InChIKey is PHBWTVHFQHQPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-13-14(2)21-17(15(3)20(13)24)10-11-22(4,25-21)19-12-18(23-26-19)16-8-6-5-7-9-16/h5-9,12,24H,10-11H2,1-4H3.
What are the key properties of 2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-(3-phenyl-1,2-oxazol-5-yl)-3,4-dihydrochromen-6-ol has a molecular weight of 349.43 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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)-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 56666275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).