1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene

C25H32 — CID 141470868

IUPAC1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene
SMILESC#Cc1ccc(-c2ccccc2CCCC(CC)CCCCC)cc1
InChIInChI=1S/C25H32/c1-4-7-8-12-21(5-2)13-11-15-23-14-9-10-16-25(23)24-19-17-22(6-3)18-20-24/h3,9-10,14,16-21H,4-5,7-8,11-13,15H2,1-2H3
InChIKeyFKGJPTPWIYCBHD-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.26
Rot. Bonds10

About 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene

1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene (PubChem CID 141470868) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene.

Molecular Properties

Compound Name1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene
PubChem CID141470868
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene
SMILESC#Cc1ccc(-c2ccccc2CCCC(CC)CCCCC)cc1
InChIInChI=1S/C25H32/c1-4-7-8-12-21(5-2)13-11-15-23-14-9-10-16-25(23)24-19-17-22(6-3)18-20-24/h3,9-10,14,16-21H,4-5,7-8,11-13,15H2,1-2H3
InChIKeyFKGJPTPWIYCBHD-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pentylphenyl)benzonitrile
CID 69050973
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
5-[2-[4-(2-butylphenyl)phenyl]ethynyl]-2-ethynyl-1,3-difluorobenzene
CID 175895804
gold;1-pentyl-2-phenylbenzene
CID 174945702
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
3-ethylundecylbenzene
CID 101046196
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1-pent-4-ynyl-2-phenylbenzene
CID 174539283
2-(2-butylphenyl)naphthalene
CID 58626566
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene?
The IUPAC name of 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene (CID 141470868) is 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene.
What is the SMILES notation for 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene?
The canonical SMILES for 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene is C#Cc1ccc(-c2ccccc2CCCC(CC)CCCCC)cc1.
What is the InChIKey of 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene?
The InChIKey is FKGJPTPWIYCBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-4-7-8-12-21(5-2)13-11-15-23-14-9-10-16-25(23)24-19-17-22(6-3)18-20-24/h3,9-10,14,16-21H,4-5,7-8,11-13,15H2,1-2H3.
What are the key properties of 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene?
1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene has a molecular weight of 332.53 g/mol, XLogP of 7.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylnonyl)-2-(4-ethynylphenyl)benzene is sourced from PubChem (CID 141470868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).