6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol

C21H26O5 — CID 163887720

IUPAC6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol
SMILESCOc1ccc(C2OC(CO)CC(O)C2O)cc1Cc1ccc(C)cc1
InChIInChI=1S/C21H26O5/c1-13-3-5-14(6-4-13)9-16-10-15(7-8-19(16)25-2)21-20(24)18(23)11-17(12-22)26-21/h3-8,10,17-18,20-24H,9,11-12H2,1-2H3
InChIKeyPYWBCBRILVQGMG-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.14
Rot. Bonds5

About 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol

6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol (PubChem CID 163887720) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol
PubChem CID163887720
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Name6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol
SMILESCOc1ccc(C2OC(CO)CC(O)C2O)cc1Cc1ccc(C)cc1
InChIInChI=1S/C21H26O5/c1-13-3-5-14(6-4-13)9-16-10-15(7-8-19(16)25-2)21-20(24)18(23)11-17(12-22)26-21/h3-8,10,17-18,20-24H,9,11-12H2,1-2H3
InChIKeyPYWBCBRILVQGMG-UHFFFAOYSA-N
XLogP2.14
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methoxy-2-[(4-propan-2-ylphenyl)methyl]benzonitrile;hydrate
CID 143667270
methyl 4-[5-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-methoxyphenoxy]benzoate
CID 123585133
2-[4-chloro-3-[(1-methylindol-5-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 123369809
6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol
CID 123789280
(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde
CID 144864989
(2S,3R,4S,6S)-2-[4-chloro-3-[[4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 126607090
2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
CID 123741782
(2S,3R,4R,6R)-2-[3-[[4-(1,3-dihydro-2-benzofuran-1-ylmethoxy)phenyl]methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 126607170
(2S,3S,4S,6S)-2-[5-(1-benzothiophen-2-ylmethyl)-2-hydroxy-4-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 163603305
(2S,3R,4S,6S)-2-[5-(1-benzothiophen-2-ylmethyl)-2-hydroxy-4-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 78321494
5,5-difluoro-6-(hydroxymethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-(trifluoromethoxy)phenyl]oxane-3,4-diol
CID 70986881
2-[4-[4-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 123511066

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol?
The IUPAC name of 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol (CID 163887720) is 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol is COc1ccc(C2OC(CO)CC(O)C2O)cc1Cc1ccc(C)cc1.
What is the InChIKey of 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol?
The InChIKey is PYWBCBRILVQGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5/c1-13-3-5-14(6-4-13)9-16-10-15(7-8-19(16)25-2)21-20(24)18(23)11-17(12-22)26-21/h3-8,10,17-18,20-24H,9,11-12H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol?
6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol has a molecular weight of 358.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol is sourced from PubChem (CID 163887720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).