ethane;1,2,6-trimethoxy-7-methylnaphthalene

C16H22O3 — CID 143769009

IUPACethane;1,2,6-trimethoxy-7-methylnaphthalene
SMILESCC.COc1cc2ccc(OC)c(OC)c2cc1C
InChIInChI=1S/C14H16O3.C2H6/c1-9-7-11-10(8-13(9)16-3)5-6-12(15-2)14(11)17-4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyJOZOJVQRPNXFMZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.20
Rot. Bonds3

About ethane;1,2,6-trimethoxy-7-methylnaphthalene

ethane;1,2,6-trimethoxy-7-methylnaphthalene (PubChem CID 143769009) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethane;1,2,6-trimethoxy-7-methylnaphthalene.

Molecular Properties

Compound Nameethane;1,2,6-trimethoxy-7-methylnaphthalene
PubChem CID143769009
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethane;1,2,6-trimethoxy-7-methylnaphthalene
SMILESCC.COc1cc2ccc(OC)c(OC)c2cc1C
InChIInChI=1S/C14H16O3.C2H6/c1-9-7-11-10(8-13(9)16-3)5-6-12(15-2)14(11)17-4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyJOZOJVQRPNXFMZ-UHFFFAOYSA-N
XLogP4.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,6-trimethoxy-7-methylnaphthalene?
The IUPAC name of ethane;1,2,6-trimethoxy-7-methylnaphthalene (CID 143769009) is ethane;1,2,6-trimethoxy-7-methylnaphthalene.
What is the SMILES notation for ethane;1,2,6-trimethoxy-7-methylnaphthalene?
The canonical SMILES for ethane;1,2,6-trimethoxy-7-methylnaphthalene is CC.COc1cc2ccc(OC)c(OC)c2cc1C.
What is the InChIKey of ethane;1,2,6-trimethoxy-7-methylnaphthalene?
The InChIKey is JOZOJVQRPNXFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3.C2H6/c1-9-7-11-10(8-13(9)16-3)5-6-12(15-2)14(11)17-4;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of ethane;1,2,6-trimethoxy-7-methylnaphthalene?
ethane;1,2,6-trimethoxy-7-methylnaphthalene has a molecular weight of 262.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,6-trimethoxy-7-methylnaphthalene is sourced from PubChem (CID 143769009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).