1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene

C23H30 — CID 606477

IUPAC1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3
InChIKeyDOALOUQODWWGEZ-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.99
Rot. Bonds5

About 1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene

1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 606477) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID606477
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3
InChIKeyDOALOUQODWWGEZ-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.99
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-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene (CID 606477) is 1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is DOALOUQODWWGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene?
1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 306.49 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 606477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).