2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol

C15H22O6 — CID 162904942

IUPAC2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol
SMILESCc1cc(OC2OC(C)C(O)C(O)C2O)c(C)c(O)c1C
InChIInChI=1S/C15H22O6/c1-6-5-10(8(3)11(16)7(6)2)21-15-14(19)13(18)12(17)9(4)20-15/h5,9,12-19H,1-4H3
InChIKeyAHRUFYIOZLJWPI-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.52
Rot. Bonds2

About 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol

2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol (PubChem CID 162904942) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol
PubChem CID162904942
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol
SMILESCc1cc(OC2OC(C)C(O)C(O)C2O)c(C)c(O)c1C
InChIInChI=1S/C15H22O6/c1-6-5-10(8(3)11(16)7(6)2)21-15-14(19)13(18)12(17)9(4)20-15/h5,9,12-19H,1-4H3
InChIKeyAHRUFYIOZLJWPI-UHFFFAOYSA-N
XLogP0.52
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dihydroxy-8-methoxy-2-methyl-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione
CID 162938382
2-(4-hydroxy-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol
CID 73236373
6-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-1,2,5,7,9,10-hexol
CID 46889394
6,7,14-trihydroxy-13-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
CID 102005621
1,8-dihydroxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
CID 162905211
1-hydroxy-6,7,8-trimethoxy-2-methyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
CID 162926415
(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol
CID 23260821
1-hydroxy-6,8-dimethoxy-2-methyl-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
CID 162907858
7-hydroxy-2-(4-hydroxyphenyl)-3-methyl-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 162881615
2-[3-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]acetonitrile
CID 20759831
[2,4-dihydroxy-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-(4-hydroxyphenyl)methanone
CID 42636397
[2,4-dihydroxy-6-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-(4-hydroxyphenyl)methanone
CID 101458723

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol?
The IUPAC name of 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol (CID 162904942) is 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol?
The canonical SMILES for 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol is Cc1cc(OC2OC(C)C(O)C(O)C2O)c(C)c(O)c1C.
What is the InChIKey of 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol?
The InChIKey is AHRUFYIOZLJWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-6-5-10(8(3)11(16)7(6)2)21-15-14(19)13(18)12(17)9(4)20-15/h5,9,12-19H,1-4H3.
What are the key properties of 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol?
2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol has a molecular weight of 298.34 g/mol, XLogP of 0.52, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 162904942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).