3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol

C15H22O3 — CID 142223313

IUPAC3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
SMILESCOCC1c2c(C)c(O)c(C)c(C)c2OC1(C)C
InChIInChI=1S/C15H22O3/c1-8-9(2)14-12(10(3)13(8)16)11(7-17-6)15(4,5)18-14/h11,16H,7H2,1-6H3
InChIKeyFQUKSXCJGIYSNV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.22
Rot. Bonds2

About 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol

3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol (PubChem CID 142223313) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
PubChem CID142223313
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
SMILESCOCC1c2c(C)c(O)c(C)c(C)c2OC1(C)C
InChIInChI=1S/C15H22O3/c1-8-9(2)14-12(10(3)13(8)16)11(7-17-6)15(4,5)18-14/h11,16H,7H2,1-6H3
InChIKeyFQUKSXCJGIYSNV-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(bromomethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
CID 10040370
2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol
CID 6918291
(3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-ol
CID 11782131
methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate
CID 10355440
(3R)-2,2,4,6,7-pentamethyl-3-[(4-methylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-ol;hydrate;dihydrochloride
CID 174392629
3-(3,3-dimethylbut-1-enyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
CID 142854520
7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one
CID 142093816
2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol
CID 22238256
5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol
CID 69055305
ethyl 3-[(6-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-4-yl)sulfanyl]propanoate
CID 101261697
2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-ol
CID 12018728
(2S,3S)-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-ol
CID 59260229

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The IUPAC name of 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol (CID 142223313) is 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol.
What is the SMILES notation for 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The canonical SMILES for 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol is COCC1c2c(C)c(O)c(C)c(C)c2OC1(C)C.
What is the InChIKey of 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
The InChIKey is FQUKSXCJGIYSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-8-9(2)14-12(10(3)13(8)16)11(7-17-6)15(4,5)18-14/h11,16H,7H2,1-6H3.
What are the key properties of 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol?
3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol has a molecular weight of 250.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol is sourced from PubChem (CID 142223313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).