naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane

C26H24O6 — CID 167603505

IUPACnaphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
SMILESOc1ccc2cc(O)ccc2c1.c1cc2cc(OCC3CO3)ccc2cc1OCC1CO1
InChIInChI=1S/C16H16O4.C10H8O2/c1-3-13(17-7-15-9-19-15)6-12-2-4-14(5-11(1)12)18-8-16-10-20-16;11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,15-16H,7-10H2;1-6,11-12H
InChIKeyKBHGGWOWRRLBOR-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.65
Rot. Bonds6

About naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane

naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane (PubChem CID 167603505) has the molecular formula C26H24O6 and a molecular weight of 432.47 g/mol. Its IUPAC name is naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Namenaphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
PubChem CID167603505
Molecular FormulaC26H24O6
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Namenaphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
SMILESOc1ccc2cc(O)ccc2c1.c1cc2cc(OCC3CO3)ccc2cc1OCC1CO1
InChIInChI=1S/C16H16O4.C10H8O2/c1-3-13(17-7-15-9-19-15)6-12-2-4-14(5-11(1)12)18-8-16-10-20-16;11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,15-16H,7-10H2;1-6,11-12H
InChIKeyKBHGGWOWRRLBOR-UHFFFAOYSA-N
XLogP4.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-(oxetan-2-ylmethoxy)naphthalen-2-ol
CID 22482657
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
2-[4,6-bis[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazin-2-yl]-5-(oxiran-2-ylmethoxy)phenol
CID 147213170
2-amino-5-(oxiran-2-ylmethoxy)phenol
CID 142227282
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine
CID 142978717
2-(chloromethyl)oxirane;4-methoxyphenol;2-[(4-methoxyphenoxy)methyl]oxirane
CID 157284008
2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 87877907
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
CID 88996492
[5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol
CID 123472629
[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone
CID 141433843

Frequently Asked Questions

What is the IUPAC name of naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane?
The IUPAC name of naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane (CID 167603505) is naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane.
What is the SMILES notation for naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane?
The canonical SMILES for naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane is Oc1ccc2cc(O)ccc2c1.c1cc2cc(OCC3CO3)ccc2cc1OCC1CO1.
What is the InChIKey of naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane?
The InChIKey is KBHGGWOWRRLBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4.C10H8O2/c1-3-13(17-7-15-9-19-15)6-12-2-4-14(5-11(1)12)18-8-16-10-20-16;11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,15-16H,7-10H2;1-6,11-12H.
What are the key properties of naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane?
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 432.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 167603505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).