2-ethyl-7-methyl-1,4-dihydronaphthalene

C13H16 — CID 123842957

IUPAC2-ethyl-7-methyl-1,4-dihydronaphthalene
SMILESCCC1=CCc2ccc(C)cc2C1
InChIInChI=1S/C13H16/c1-3-11-5-7-12-6-4-10(2)8-13(12)9-11/h4-6,8H,3,7,9H2,1-2H3
InChIKeyOPXXYHPOYZPURB-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.43
Rot. Bonds1

About 2-ethyl-7-methyl-1,4-dihydronaphthalene

2-ethyl-7-methyl-1,4-dihydronaphthalene (PubChem CID 123842957) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethyl-7-methyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-ethyl-7-methyl-1,4-dihydronaphthalene
PubChem CID123842957
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2-ethyl-7-methyl-1,4-dihydronaphthalene
SMILESCCC1=CCc2ccc(C)cc2C1
InChIInChI=1S/C13H16/c1-3-11-5-7-12-6-4-10(2)8-13(12)9-11/h4-6,8H,3,7,9H2,1-2H3
InChIKeyOPXXYHPOYZPURB-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

butane;2,7-dimethyl-9H-fluorene;ethane;methane
CID 143631351
2-butyl-7-fluoro-1,4-dihydronaphthalene
CID 139961729
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
ethane;3-ethyl-6-methyl-1H-indene;methanol
CID 91275305
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
5,10-diethyl-2,8-dimethyl-11H-benzo[b]fluorene
CID 20616839
1,2-diethyl-4-methylbenzene;methane
CID 174446118
6-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
CID 144794915
5-methyl-1H-indene;propane
CID 91103814
dichlorozirconium;2,7-dimethyl-9H-fluorene
CID 174320466
2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961869
5-methyl-2-propyl-1,3-dihydroisoindole
CID 130841289

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-1,4-dihydronaphthalene?
The IUPAC name of 2-ethyl-7-methyl-1,4-dihydronaphthalene (CID 123842957) is 2-ethyl-7-methyl-1,4-dihydronaphthalene.
What is the SMILES notation for 2-ethyl-7-methyl-1,4-dihydronaphthalene?
The canonical SMILES for 2-ethyl-7-methyl-1,4-dihydronaphthalene is CCC1=CCc2ccc(C)cc2C1.
What is the InChIKey of 2-ethyl-7-methyl-1,4-dihydronaphthalene?
The InChIKey is OPXXYHPOYZPURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-11-5-7-12-6-4-10(2)8-13(12)9-11/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-1,4-dihydronaphthalene?
2-ethyl-7-methyl-1,4-dihydronaphthalene has a molecular weight of 172.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-1,4-dihydronaphthalene is sourced from PubChem (CID 123842957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).