1,6-diethoxynaphthalene;naphthalene-1,6-diol

C24H24O4 — CID 162064301

IUPAC1,6-diethoxynaphthalene;naphthalene-1,6-diol
SMILESCCOc1ccc2c(OCC)cccc2c1.Oc1ccc2c(O)cccc2c1
InChIInChI=1S/C14H16O2.C10H8O2/c1-3-15-12-8-9-13-11(10-12)6-5-7-14(13)16-4-2;11-8-4-5-9-7(6-8)2-1-3-10(9)12/h5-10H,3-4H2,1-2H3;1-6,11-12H
InChIKeyZAGFPNLVCHDGCH-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.89
Rot. Bonds4

About 1,6-diethoxynaphthalene;naphthalene-1,6-diol

1,6-diethoxynaphthalene;naphthalene-1,6-diol (PubChem CID 162064301) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1,6-diethoxynaphthalene;naphthalene-1,6-diol.

Molecular Properties

Compound Name1,6-diethoxynaphthalene;naphthalene-1,6-diol
PubChem CID162064301
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name1,6-diethoxynaphthalene;naphthalene-1,6-diol
SMILESCCOc1ccc2c(OCC)cccc2c1.Oc1ccc2c(O)cccc2c1
InChIInChI=1S/C14H16O2.C10H8O2/c1-3-15-12-8-9-13-11(10-12)6-5-7-14(13)16-4-2;11-8-4-5-9-7(6-8)2-1-3-10(9)12/h5-10H,3-4H2,1-2H3;1-6,11-12H
InChIKeyZAGFPNLVCHDGCH-UHFFFAOYSA-N
XLogP5.89
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(5-ethoxynaphthalen-2-yl) carbonate
CID 68732940
1,7-diethoxynaphthalene
CID 13359547
5-pentoxynaphthalen-2-ol
CID 22144275
6-pentoxynaphthalen-1-ol
CID 22144289
5-phenylmethoxynaphthalen-2-ol
CID 71348952
1-bromo-6-ethoxynaphthalene
CID 151004603
1,6-dipentoxynaphthalene
CID 22144299
5-[2-hydroxy-5-(5-hydroxynaphthalen-2-yl)oxynaphthalen-1-yl]-1-(6-hydroxynaphthalen-1-yl)naphthalen-2-ol;5-[2-hydroxy-5-(6-hydroxynaphthalen-1-yl)oxynaphthalen-1-yl]-1-(6-hydroxynaphthalen-1-yl)naphthalen-2-ol;1-(6-hydroxynaphthalen-1-yl)-5-(5-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;1-(6-hydroxynaphthalen-1-yl)-5-(6-hydroxynaphthalen-1-yl)oxynaphthalen-2-ol;1-(6-hydroxynaphthalen-1-yl)-5-[5-(6-hydroxynaphthalen-1-yl)oxynaphthalen-2-yl]oxynaphthalen-2-ol;1-(6-hydroxynaphthalen-1-yl)-5-[6-(6-hydroxynaphthalen-1-yl)oxynaphthalen-1-yl]oxynaphthalen-2-ol;5-(6-hydroxynaphthalen-1-yl)oxynaphthalen-2-ol;bis(5-[5-(6-hydroxynaphthalen-1-yl)oxynaphthalen-2-yl]oxynaphthalen-2-ol)
CID 158125548
lithium;1-ethoxynaphthalene;hydride
CID 174613942
2-ethoxynaphthalene
CID 118978197
3-ethoxy-2-propoxyphenol
CID 174814735
(3,4-dihydroxyphenyl) 2,2-dimethylbutanoate;(4-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(5-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate
CID 158346273

Frequently Asked Questions

What is the IUPAC name of 1,6-diethoxynaphthalene;naphthalene-1,6-diol?
The IUPAC name of 1,6-diethoxynaphthalene;naphthalene-1,6-diol (CID 162064301) is 1,6-diethoxynaphthalene;naphthalene-1,6-diol.
What is the SMILES notation for 1,6-diethoxynaphthalene;naphthalene-1,6-diol?
The canonical SMILES for 1,6-diethoxynaphthalene;naphthalene-1,6-diol is CCOc1ccc2c(OCC)cccc2c1.Oc1ccc2c(O)cccc2c1.
What is the InChIKey of 1,6-diethoxynaphthalene;naphthalene-1,6-diol?
The InChIKey is ZAGFPNLVCHDGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2.C10H8O2/c1-3-15-12-8-9-13-11(10-12)6-5-7-14(13)16-4-2;11-8-4-5-9-7(6-8)2-1-3-10(9)12/h5-10H,3-4H2,1-2H3;1-6,11-12H.
What are the key properties of 1,6-diethoxynaphthalene;naphthalene-1,6-diol?
1,6-diethoxynaphthalene;naphthalene-1,6-diol has a molecular weight of 376.45 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethoxynaphthalene;naphthalene-1,6-diol is sourced from PubChem (CID 162064301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).