3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol

C18H24O6 — CID 15536755

IUPAC3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol
SMILESOCC(O)COCc1ccc(COCC(O)CO)c2ccccc12
InChIInChI=1S/C18H24O6/c19-7-15(21)11-23-9-13-5-6-14(10-24-12-16(22)8-20)18-4-2-1-3-17(13)18/h1-6,15-16,19-22H,7-12H2
InChIKeyKYWPXHUBIYOVMA-UHFFFAOYSA-N
MW336.38 g/mol
LogP0.58
Rot. Bonds10

About 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol

3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol (PubChem CID 15536755) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol
PubChem CID15536755
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol
SMILESOCC(O)COCc1ccc(COCC(O)CO)c2ccccc12
InChIInChI=1S/C18H24O6/c19-7-15(21)11-23-9-13-5-6-14(10-24-12-16(22)8-20)18-4-2-1-3-17(13)18/h1-6,15-16,19-22H,7-12H2
InChIKeyKYWPXHUBIYOVMA-UHFFFAOYSA-N
XLogP0.58
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(pyren-1-ylmethoxy)propane-1,2-diol
CID 58590320
CID 172760983
CID 172760983
3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride
CID 70154974
[4-(phenylmethoxymethyl)naphthalen-1-yl]methanol
CID 146459770
1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol
CID 78066817
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688
3-anthracen-9-yloxypropane-1,2-diol
CID 139994732
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
3-phenoxypropane-1,2-diol
CID 10857
3-phenoxypropane-1,2-diol
CID 158587241
4-(ethoxymethyl)naphthalen-1-ol
CID 90487839

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol?
The IUPAC name of 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol (CID 15536755) is 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol.
What is the SMILES notation for 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol?
The canonical SMILES for 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol is OCC(O)COCc1ccc(COCC(O)CO)c2ccccc12.
What is the InChIKey of 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol?
The InChIKey is KYWPXHUBIYOVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6/c19-7-15(21)11-23-9-13-5-6-14(10-24-12-16(22)8-20)18-4-2-1-3-17(13)18/h1-6,15-16,19-22H,7-12H2.
What are the key properties of 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol?
3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol has a molecular weight of 336.38 g/mol, XLogP of 0.58, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol is sourced from PubChem (CID 15536755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).