2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol

C22H22O5 — CID 123984855

IUPAC2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol
SMILESOCC1OC(c2cccc(-c3ccc4cc(O)ccc4c3)c2)CC(O)C1O
InChIInChI=1S/C22H22O5/c23-12-21-22(26)19(25)11-20(27-21)17-3-1-2-13(9-17)14-4-5-16-10-18(24)7-6-15(16)8-14/h1-10,19-26H,11-12H2
InChIKeyBOPDVHIWEKXFIK-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.76
Rot. Bonds3

About 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol

2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol (PubChem CID 123984855) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol
PubChem CID123984855
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol
SMILESOCC1OC(c2cccc(-c3ccc4cc(O)ccc4c3)c2)CC(O)C1O
InChIInChI=1S/C22H22O5/c23-12-21-22(26)19(25)11-20(27-21)17-3-1-2-13(9-17)14-4-5-16-10-18(24)7-6-15(16)8-14/h1-10,19-26H,11-12H2
InChIKeyBOPDVHIWEKXFIK-UHFFFAOYSA-N
XLogP2.76
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
CID 71067480
(2R,3S,5R)-2-(hydroxymethyl)-5-(7-phenylnaphthalen-2-yl)oxolan-3-ol
CID 23661140
(2R,3S,4R,5S,6R)-2-[3-[4-[3-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90251075
(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 101183405
(2R,3S,4R,5S)-2-(hydroxymethyl)-6-(3-hydroxyphenyl)oxane-3,4,5-triol
CID 71731174
(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919961
(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59119117
(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol
CID 11702098
(2R)-5-chrysen-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919947
3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol
CID 102266258
6-cyclohexa-1,5-dien-1-yl-2-(hydroxymethyl)oxane-3,4-diol
CID 171556673
4-[(2R,4R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(4-methoxyphenyl)methyl]benzonitrile
CID 143526213

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol (CID 123984855) is 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol is OCC1OC(c2cccc(-c3ccc4cc(O)ccc4c3)c2)CC(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol?
The InChIKey is BOPDVHIWEKXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c23-12-21-22(26)19(25)11-20(27-21)17-3-1-2-13(9-17)14-4-5-16-10-18(24)7-6-15(16)8-14/h1-10,19-26H,11-12H2.
What are the key properties of 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol?
2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol has a molecular weight of 366.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol is sourced from PubChem (CID 123984855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).