6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol

C16H18O5 — CID 2835137

IUPAC6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol
SMILESOCC1CC(O)C(O)C(Oc2ccc3ccccc3c2)O1
InChIInChI=1S/C16H18O5/c17-9-13-8-14(18)15(19)16(21-13)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-19H,8-9H2
InChIKeyFYJUIDODJVPCHK-UHFFFAOYSA-N
MW290.31 g/mol
LogP1.05
Rot. Bonds3

About 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol

6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol (PubChem CID 2835137) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol
PubChem CID2835137
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol
SMILESOCC1CC(O)C(O)C(Oc2ccc3ccccc3c2)O1
InChIInChI=1S/C16H18O5/c17-9-13-8-14(18)15(19)16(21-13)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-19H,8-9H2
InChIKeyFYJUIDODJVPCHK-UHFFFAOYSA-N
XLogP1.05
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(2R,3S,4S,5R,6S)-2-methyl-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 70423930
2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid
CID 167491390
sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-yloxyoxane-2-carboxylic acid
CID 130476793
7-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-3-phenylchromen-4-one
CID 129060621
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 72551848
[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate
CID 102536824
(2S,3R,4S,6S)-2-[3-fluoro-5-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4-diol
CID 68986264
7-[(2S,3R,4S,6S)-3-hydroxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-4-methylchromen-2-one
CID 167510910
(2S,3R,4R,5S,6S)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6572881

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol?
The IUPAC name of 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol (CID 2835137) is 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol is OCC1CC(O)C(O)C(Oc2ccc3ccccc3c2)O1.
What is the InChIKey of 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol?
The InChIKey is FYJUIDODJVPCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c17-9-13-8-14(18)15(19)16(21-13)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-19H,8-9H2.
What are the key properties of 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol?
6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol has a molecular weight of 290.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol is sourced from PubChem (CID 2835137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).