2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol

C27H33N3O3 — CID 142214337

IUPAC2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol
SMILESC/C=C/c1ccc(Cn2nccn2)cc1OCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C27H33N3O3/c1-6-7-22-9-8-21(17-30-28-13-14-29-30)16-24(22)32-15-12-27(5)11-10-23-20(4)25(31)18(2)19(3)26(23)33-27/h6-9,13-14,16,31H,10-12,15,17H2,1-5H3/b7-6+
InChIKeyOGGUHHNESMAADE-VOTSOKGWSA-N
MW447.58 g/mol
LogP5.54
Rot. Bonds7

About 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol (PubChem CID 142214337) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol
PubChem CID142214337
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol
SMILESC/C=C/c1ccc(Cn2nccn2)cc1OCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C27H33N3O3/c1-6-7-22-9-8-21(17-30-28-13-14-29-30)16-24(22)32-15-12-27(5)11-10-23-20(4)25(31)18(2)19(3)26(23)33-27/h6-9,13-14,16,31H,10-12,15,17H2,1-5H3/b7-6+
InChIKeyOGGUHHNESMAADE-VOTSOKGWSA-N
XLogP5.54
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol (CID 142214337) is 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol is C/C=C/c1ccc(Cn2nccn2)cc1OCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol?
The InChIKey is OGGUHHNESMAADE-VOTSOKGWSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-6-7-22-9-8-21(17-30-28-13-14-29-30)16-24(22)32-15-12-27(5)11-10-23-20(4)25(31)18(2)19(3)26(23)33-27/h6-9,13-14,16,31H,10-12,15,17H2,1-5H3/b7-6+.
What are the key properties of 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol has a molecular weight of 447.58 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[2-[2-[(E)-prop-1-enyl]-5-(triazol-2-ylmethyl)phenoxy]ethyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 142214337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).