2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol

C14H20O4 — CID 90704833

IUPAC2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol
SMILESCC1OC(CCc2ccccc2)C(O)C(O)C1O
InChIInChI=1S/C14H20O4/c1-9-12(15)14(17)13(16)11(18-9)8-7-10-5-3-2-4-6-10/h2-6,9,11-17H,7-8H2,1H3
InChIKeyVYXACCHAVPQKMS-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.49
Rot. Bonds3

About 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol

2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol (PubChem CID 90704833) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol
PubChem CID90704833
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol
SMILESCC1OC(CCc2ccccc2)C(O)C(O)C1O
InChIInChI=1S/C14H20O4/c1-9-12(15)14(17)13(16)11(18-9)8-7-10-5-3-2-4-6-10/h2-6,9,11-17H,7-8H2,1H3
InChIKeyVYXACCHAVPQKMS-UHFFFAOYSA-N
XLogP0.49
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S,6S)-2-methyl-6-(3-phenylpropyl)oxane-3,4,5-triol
CID 90823416
(2S,3R,4S,5S,6R)-2-[(2-benzylphenyl)methyl]-6-methyloxane-3,4,5-triol
CID 71016764
2-phenylethyl-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]azanium
CID 7081010
(2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol
CID 7081007
(2R,3R,4S,5S,6R)-2-benzylsulfanyl-6-methyloxane-3,4,5-triol
CID 21310490
1-phenyl-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]ethanone
CID 46240977
(E)-1-phenyl-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pent-1-en-3-one
CID 147339359
(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
CID 147741789
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(2R,3R,4S,5S,6S)-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995019
(2R,3S,4S,5S,6S)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995015
1-[3-(2-phenylethyl)oxiran-2-yl]ethanone
CID 12794803

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol?
The IUPAC name of 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol (CID 90704833) is 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol is CC1OC(CCc2ccccc2)C(O)C(O)C1O.
What is the InChIKey of 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol?
The InChIKey is VYXACCHAVPQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9-12(15)14(17)13(16)11(18-9)8-7-10-5-3-2-4-6-10/h2-6,9,11-17H,7-8H2,1H3.
What are the key properties of 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol?
2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol has a molecular weight of 252.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol is sourced from PubChem (CID 90704833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).