1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene

C22H28 — CID 173407939

IUPAC1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C(C)(C)C)cc1C1CCCc2ccccc21
InChIInChI=1S/C22H28/c1-5-16-13-14-18(22(2,3)4)15-21(16)20-12-8-10-17-9-6-7-11-19(17)20/h6-7,9,11,13-15,20H,5,8,10,12H2,1-4H3
InChIKeyABVAUPQWWHQWOL-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.01
Rot. Bonds2

About 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene

1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 173407939) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID173407939
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C(C)(C)C)cc1C1CCCc2ccccc21
InChIInChI=1S/C22H28/c1-5-16-13-14-18(22(2,3)4)15-21(16)20-12-8-10-17-9-6-7-11-19(17)20/h6-7,9,11,13-15,20H,5,8,10,12H2,1-4H3
InChIKeyABVAUPQWWHQWOL-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 63513898
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7937431
4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 63611983
4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 19849908
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167617330
2-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 13136042
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
[6-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251093
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998
3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one
CID 140997606

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 173407939) is 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene is CCc1ccc(C(C)(C)C)cc1C1CCCc2ccccc21.
What is the InChIKey of 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ABVAUPQWWHQWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-5-16-13-14-18(22(2,3)4)15-21(16)20-12-8-10-17-9-6-7-11-19(17)20/h6-7,9,11,13-15,20H,5,8,10,12H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene?
1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 292.47 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 173407939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).