1,7-diethoxynaphthalene

C14H16O2 — CID 13359547

IUPAC1,7-diethoxynaphthalene
SMILESCCOc1ccc2cccc(OCC)c2c1
InChIInChI=1S/C14H16O2/c1-3-15-12-9-8-11-6-5-7-14(16-4-2)13(11)10-12/h5-10H,3-4H2,1-2H3
InChIKeyXPTCIPWPSSKEIO-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.64
Rot. Bonds4

About 1,7-diethoxynaphthalene

1,7-diethoxynaphthalene (PubChem CID 13359547) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1,7-diethoxynaphthalene.

Molecular Properties

Compound Name1,7-diethoxynaphthalene
PubChem CID13359547
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1,7-diethoxynaphthalene
SMILESCCOc1ccc2cccc(OCC)c2c1
InChIInChI=1S/C14H16O2/c1-3-15-12-9-8-11-6-5-7-14(16-4-2)13(11)10-12/h5-10H,3-4H2,1-2H3
InChIKeyXPTCIPWPSSKEIO-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxynaphthalene
CID 118978197
7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
1,6-diethoxynaphthalene;naphthalene-1,6-diol
CID 162064301
1-ethoxyphenanthrene
CID 19828992
lithium;1-ethoxynaphthalene;hydride
CID 174613942
2,6-diethoxyanthracene
CID 12651989
ethoxyethane;2-ethoxynaphthalene
CID 118982387
1-(7-ethoxynaphthalen-1-yl)thiolan-1-ium
CID 18350191
bis(5-ethoxynaphthalen-2-yl) carbonate
CID 68732940
3-(7-ethoxynaphthalen-1-yl)propan-1-amine
CID 19085994
1,2-diethoxytetracene
CID 141276964
1-bromo-6-ethoxynaphthalene
CID 151004603

Frequently Asked Questions

What is the IUPAC name of 1,7-diethoxynaphthalene?
The IUPAC name of 1,7-diethoxynaphthalene (CID 13359547) is 1,7-diethoxynaphthalene.
What is the SMILES notation for 1,7-diethoxynaphthalene?
The canonical SMILES for 1,7-diethoxynaphthalene is CCOc1ccc2cccc(OCC)c2c1.
What is the InChIKey of 1,7-diethoxynaphthalene?
The InChIKey is XPTCIPWPSSKEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-15-12-9-8-11-6-5-7-14(16-4-2)13(11)10-12/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,7-diethoxynaphthalene?
1,7-diethoxynaphthalene has a molecular weight of 216.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diethoxynaphthalene is sourced from PubChem (CID 13359547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).