1,2,8-trimethoxy-7-methylnaphthalene

C14H16O3 — CID 53254661

IUPAC1,2,8-trimethoxy-7-methylnaphthalene
SMILESCOc1ccc2ccc(C)c(OC)c2c1OC
InChIInChI=1S/C14H16O3/c1-9-5-6-10-7-8-11(15-2)14(17-4)12(10)13(9)16-3/h5-8H,1-4H3
InChIKeyYSZWXHIXKBFECR-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.17
Rot. Bonds3

About 1,2,8-trimethoxy-7-methylnaphthalene

1,2,8-trimethoxy-7-methylnaphthalene (PubChem CID 53254661) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1,2,8-trimethoxy-7-methylnaphthalene.

Molecular Properties

Compound Name1,2,8-trimethoxy-7-methylnaphthalene
PubChem CID53254661
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1,2,8-trimethoxy-7-methylnaphthalene
SMILESCOc1ccc2ccc(C)c(OC)c2c1OC
InChIInChI=1S/C14H16O3/c1-9-5-6-10-7-8-11(15-2)14(17-4)12(10)13(9)16-3/h5-8H,1-4H3
InChIKeyYSZWXHIXKBFECR-UHFFFAOYSA-N
XLogP3.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,8-trimethoxy-7-methylnaphthalene?
The IUPAC name of 1,2,8-trimethoxy-7-methylnaphthalene (CID 53254661) is 1,2,8-trimethoxy-7-methylnaphthalene.
What is the SMILES notation for 1,2,8-trimethoxy-7-methylnaphthalene?
The canonical SMILES for 1,2,8-trimethoxy-7-methylnaphthalene is COc1ccc2ccc(C)c(OC)c2c1OC.
What is the InChIKey of 1,2,8-trimethoxy-7-methylnaphthalene?
The InChIKey is YSZWXHIXKBFECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-9-5-6-10-7-8-11(15-2)14(17-4)12(10)13(9)16-3/h5-8H,1-4H3.
What are the key properties of 1,2,8-trimethoxy-7-methylnaphthalene?
1,2,8-trimethoxy-7-methylnaphthalene has a molecular weight of 232.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trimethoxy-7-methylnaphthalene is sourced from PubChem (CID 53254661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).