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

C22H26O4 — CID 175032075

IUPAC(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1C
InChIInChI=1S/C22H26O4/c1-12-8-7-9-18(13(12)2)21(24)26-22(6)11-10-17-16(5)19(23)14(3)15(4)20(17)25-22/h7-9,23H,10-11H2,1-6H3
InChIKeyOPUDPYZRWDJQHM-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.83
Rot. Bonds2

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

(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate (PubChem CID 175032075) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate.

Molecular Properties

Compound Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate
PubChem CID175032075
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1C
InChIInChI=1S/C22H26O4/c1-12-8-7-9-18(13(12)2)21(24)26-22(6)11-10-17-16(5)19(23)14(3)15(4)20(17)25-22/h7-9,23H,10-11H2,1-6H3
InChIKeyOPUDPYZRWDJQHM-UHFFFAOYSA-N
XLogP4.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate?
The IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate (CID 175032075) is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate.
What is the SMILES notation for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate?
The canonical SMILES for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate is Cc1cccc(C(=O)OC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1C.
What is the InChIKey of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate?
The InChIKey is OPUDPYZRWDJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-12-8-7-9-18(13(12)2)21(24)26-22(6)11-10-17-16(5)19(23)14(3)15(4)20(17)25-22/h7-9,23H,10-11H2,1-6H3.
What are the key properties of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate?
(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate has a molecular weight of 354.45 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 2,3-dimethylbenzoate is sourced from PubChem (CID 175032075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).