1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone

C19H26O5 — CID 134121286

IUPAC1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone
SMILESCOCC(=O)c1c(O)c2c(c3c1OC(C)(C)CC3)OC(C)(C)CC2
InChIInChI=1S/C19H26O5/c1-18(2)8-6-11-15(21)14(13(20)10-22-5)17-12(16(11)23-18)7-9-19(3,4)24-17/h21H,6-10H2,1-5H3
InChIKeyYLZGCGMZKXJOHX-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.43
Rot. Bonds3

About 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone

1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone (PubChem CID 134121286) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone
PubChem CID134121286
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone
SMILESCOCC(=O)c1c(O)c2c(c3c1OC(C)(C)CC3)OC(C)(C)CC2
InChIInChI=1S/C19H26O5/c1-18(2)8-6-11-15(21)14(13(20)10-22-5)17-12(16(11)23-18)7-9-19(3,4)24-17/h21H,6-10H2,1-5H3
InChIKeyYLZGCGMZKXJOHX-UHFFFAOYSA-N
XLogP3.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)prop-2-en-1-one
CID 144730829
1-(7,8-dihydroxy-2,2-dimethyl-5-prop-2-enyl-3,4-dihydrochromen-6-yl)ethanone
CID 24882034
methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate
CID 851414
(2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one
CID 163193364
3-[(6-acetyl-5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one
CID 54682569
2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol
CID 19877385
(2R)-1-(5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylbutan-1-one
CID 162870961
5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 11622944
1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)butan-1-one
CID 15587474
(3R)-4,5-dihydroxy-3,7,7-trimethyl-8,9-dihydro-3H-furo[3,4-f]chromen-1-one
CID 162983137
trimethyl-(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)azanium acetate
CID 164687688
6-(methoxymethoxy)-2,2,7,8-tetramethyl-3,4-dihydrochromene-5-carbaldehyde;2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 159523428

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone?
The IUPAC name of 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone (CID 134121286) is 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone?
The canonical SMILES for 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone is COCC(=O)c1c(O)c2c(c3c1OC(C)(C)CC3)OC(C)(C)CC2.
What is the InChIKey of 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone?
The InChIKey is YLZGCGMZKXJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-18(2)8-6-11-15(21)14(13(20)10-22-5)17-12(16(11)23-18)7-9-19(3,4)24-17/h21H,6-10H2,1-5H3.
What are the key properties of 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone?
1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone has a molecular weight of 334.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone is sourced from PubChem (CID 134121286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).