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

C26H34O3 — CID 69454131

IUPAC2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol
SMILESCc1cc(C)c2c(c1C)OC(C)(C1(C)CCc3c(C)c(O)c(C)c(C)c3O1)CC2
InChIInChI=1S/C26H34O3/c1-14-13-15(2)20-9-11-25(7,28-23(20)16(14)3)26(8)12-10-21-19(6)22(27)17(4)18(5)24(21)29-26/h13,27H,9-12H2,1-8H3
InChIKeyNUINROCIWDYVEB-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.11
Rot. Bonds1

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

2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol (PubChem CID 69454131) has the molecular formula C26H34O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol
PubChem CID69454131
Molecular FormulaC26H34O3
Molecular Weight394.56 g/mol
Exact Mass394.25
IUPAC Name2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol
SMILESCc1cc(C)c2c(c1C)OC(C)(C1(C)CCc3c(C)c(O)c(C)c(C)c3O1)CC2
InChIInChI=1S/C26H34O3/c1-14-13-15(2)20-9-11-25(7,28-23(20)16(14)3)26(8)12-10-21-19(6)22(27)17(4)18(5)24(21)29-26/h13,27H,9-12H2,1-8H3
InChIKeyNUINROCIWDYVEB-UHFFFAOYSA-N
XLogP6.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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DL-alpha-Tocopherol
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Delta-Tocotrienol
CID 5282350
Tocotrienol
CID 9929901
2,2,5,7,8-Pentamethyl-6-chromanol
CID 99479
Gamma-Tocotrienol
CID 5282349
Alpha-Tocotrienol
CID 5282347
Beta-Tocopherol
CID 6857447

Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol (CID 69454131) is 2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol is Cc1cc(C)c2c(c1C)OC(C)(C1(C)CCc3c(C)c(O)c(C)c(C)c3O1)CC2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol?
The InChIKey is NUINROCIWDYVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O3/c1-14-13-15(2)20-9-11-25(7,28-23(20)16(14)3)26(8)12-10-21-19(6)22(27)17(4)18(5)24(21)29-26/h13,27H,9-12H2,1-8H3.
What are the key properties of 2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol has a molecular weight of 394.56 g/mol, XLogP of 6.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 69454131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).