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

C22H26O5 — CID 146681010

IUPAC(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1
InChIInChI=1S/C22H26O5/c1-13-14(2)20-18(15(3)19(13)23)10-11-22(4,27-20)12-26-21(24)16-6-8-17(25-5)9-7-16/h6-9,23H,10-12H2,1-5H3
InChIKeyILLDZBCIEJVAHU-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.27
Rot. Bonds4

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

(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate (PubChem CID 146681010) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate.

Molecular Properties

Compound Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate
PubChem CID146681010
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1
InChIInChI=1S/C22H26O5/c1-13-14(2)20-18(15(3)19(13)23)10-11-22(4,27-20)12-26-21(24)16-6-8-17(25-5)9-7-16/h6-9,23H,10-12H2,1-5H3
InChIKeyILLDZBCIEJVAHU-UHFFFAOYSA-N
XLogP4.27
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 100946335
(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 59125262
2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate
CID 88693962
6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 6723427
4-(diaminomethylideneamino)-N-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]phenyl]benzamide
CID 22417441
2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid
CID 15229896
N-chloro-4-(diaminomethylideneamino)-N-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]phenyl]benzamide
CID 139805211
butanedioic acid;5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 175538546
(Z)-3-[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]-2-nitrososulfanylprop-2-enal;2-methylbut-2-ene
CID 143252098
ethyl (E)-5-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2-methylpent-2-enoate
CID 10247051
5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one
CID 57252598
(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol
CID 25119045

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate?
The IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate (CID 146681010) is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate.
What is the SMILES notation for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate?
The canonical SMILES for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate is COc1ccc(C(=O)OCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1.
What is the InChIKey of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate?
The InChIKey is ILLDZBCIEJVAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-13-14(2)20-18(15(3)19(13)23)10-11-22(4,27-20)12-26-21(24)16-6-8-17(25-5)9-7-16/h6-9,23H,10-12H2,1-5H3.
What are the key properties of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate?
(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate has a molecular weight of 370.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl 4-methoxybenzoate is sourced from PubChem (CID 146681010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).