1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene

C24H26 — CID 143195979

IUPAC1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene
SMILESCCc1ccc(Cc2ccc(C)c3c2CCCC3)c2ccccc12
InChIInChI=1S/C24H26/c1-3-18-14-15-20(24-11-7-6-9-22(18)24)16-19-13-12-17(2)21-8-4-5-10-23(19)21/h6-7,9,11-15H,3-5,8,10,16H2,1-2H3
InChIKeyXEYDAAPZYXZASY-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.18
Rot. Bonds3

About 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene

1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene (PubChem CID 143195979) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene.

Molecular Properties

Compound Name1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene
PubChem CID143195979
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene
SMILESCCc1ccc(Cc2ccc(C)c3c2CCCC3)c2ccccc12
InChIInChI=1S/C24H26/c1-3-18-14-15-20(24-11-7-6-9-22(18)24)16-19-13-12-17(2)21-8-4-5-10-23(19)21/h6-7,9,11-15H,3-5,8,10,16H2,1-2H3
InChIKeyXEYDAAPZYXZASY-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene?
The IUPAC name of 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene (CID 143195979) is 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene.
What is the SMILES notation for 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene?
The canonical SMILES for 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene is CCc1ccc(Cc2ccc(C)c3c2CCCC3)c2ccccc12.
What is the InChIKey of 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene?
The InChIKey is XEYDAAPZYXZASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-3-18-14-15-20(24-11-7-6-9-22(18)24)16-19-13-12-17(2)21-8-4-5-10-23(19)21/h6-7,9,11-15H,3-5,8,10,16H2,1-2H3.
What are the key properties of 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene?
1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene has a molecular weight of 314.47 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene is sourced from PubChem (CID 143195979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).