1-ethyl-7-methylnaphthalene

C13H14 — CID 12778771

IUPAC1-ethyl-7-methylnaphthalene
SMILESCCc1cccc2ccc(C)cc12
InChIInChI=1S/C13H14/c1-3-11-5-4-6-12-8-7-10(2)9-13(11)12/h4-9H,3H2,1-2H3
InChIKeyRMNXENIUPGSVHN-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.71
Rot. Bonds1

About 1-ethyl-7-methylnaphthalene

1-ethyl-7-methylnaphthalene (PubChem CID 12778771) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-ethyl-7-methylnaphthalene.

Molecular Properties

Compound Name1-ethyl-7-methylnaphthalene
PubChem CID12778771
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name1-ethyl-7-methylnaphthalene
SMILESCCc1cccc2ccc(C)cc12
InChIInChI=1S/C13H14/c1-3-11-5-4-6-12-8-7-10(2)9-13(11)12/h4-9H,3H2,1-2H3
InChIKeyRMNXENIUPGSVHN-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-7-methylnaphthalene
CID 91014752
ethane;1-ethyl-6-methylnaphthalene
CID 91003856
1-ethyl-7-fluoronaphthalene
CID 166534047
azane;1-hexyl-7-methylnaphthalene
CID 174691158
ethane;1-ethenyl-2-ethyl-7-methylnaphthalene
CID 142614708
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
azane;1-ethylnaphthalene
CID 19048185
1-ethylnaphthalene;pyrene
CID 174849884
7-methylnaphthalene-1-carbaldehyde
CID 15657410
sodium 7-methylnaphthalene-1-sulfonate
CID 101315116
sodium;1-ethylnaphthalene;hydride
CID 174300793
(7-methylnaphthalen-1-yl)phosphane;hydrochloride
CID 175192876

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methylnaphthalene?
The IUPAC name of 1-ethyl-7-methylnaphthalene (CID 12778771) is 1-ethyl-7-methylnaphthalene.
What is the SMILES notation for 1-ethyl-7-methylnaphthalene?
The canonical SMILES for 1-ethyl-7-methylnaphthalene is CCc1cccc2ccc(C)cc12.
What is the InChIKey of 1-ethyl-7-methylnaphthalene?
The InChIKey is RMNXENIUPGSVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-3-11-5-4-6-12-8-7-10(2)9-13(11)12/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-7-methylnaphthalene?
1-ethyl-7-methylnaphthalene has a molecular weight of 170.25 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methylnaphthalene is sourced from PubChem (CID 12778771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).