1-nonyl-2-(2-phenylethenyl)benzene

C23H30 — CID 91593587

IUPAC1-nonyl-2-(2-phenylethenyl)benzene
SMILESCCCCCCCCCc1ccccc1C=Cc1ccccc1
InChIInChI=1S/C23H30/c1-2-3-4-5-6-7-11-16-22-17-12-13-18-23(22)20-19-21-14-9-8-10-15-21/h8-10,12-15,17-20H,2-7,11,16H2,1H3
InChIKeySPBVLKMWUGZVHL-UHFFFAOYSA-N
MW306.49 g/mol
LogP7.15
Rot. Bonds10

About 1-nonyl-2-(2-phenylethenyl)benzene

1-nonyl-2-(2-phenylethenyl)benzene (PubChem CID 91593587) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-nonyl-2-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-nonyl-2-(2-phenylethenyl)benzene
PubChem CID91593587
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name1-nonyl-2-(2-phenylethenyl)benzene
SMILESCCCCCCCCCc1ccccc1C=Cc1ccccc1
InChIInChI=1S/C23H30/c1-2-3-4-5-6-7-11-16-22-17-12-13-18-23(22)20-19-21-14-9-8-10-15-21/h8-10,12-15,17-20H,2-7,11,16H2,1H3
InChIKeySPBVLKMWUGZVHL-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-nonyl-2-(2-phenylethenyl)benzene 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-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene
CID 141453206
1-pentadecyl-2-[(E)-pent-1-enyl]benzene
CID 21273097
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
(E)-3-(2-pentylphenyl)prop-2-enal
CID 22717371
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-ethenyl-2-pentylbenzene
CID 22171756
4-nonyl-2,6-bis(2-phenylethenyl)phenol
CID 54556617

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-2-(2-phenylethenyl)benzene?
The IUPAC name of 1-nonyl-2-(2-phenylethenyl)benzene (CID 91593587) is 1-nonyl-2-(2-phenylethenyl)benzene.
What is the SMILES notation for 1-nonyl-2-(2-phenylethenyl)benzene?
The canonical SMILES for 1-nonyl-2-(2-phenylethenyl)benzene is CCCCCCCCCc1ccccc1C=Cc1ccccc1.
What is the InChIKey of 1-nonyl-2-(2-phenylethenyl)benzene?
The InChIKey is SPBVLKMWUGZVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30/c1-2-3-4-5-6-7-11-16-22-17-12-13-18-23(22)20-19-21-14-9-8-10-15-21/h8-10,12-15,17-20H,2-7,11,16H2,1H3.
What are the key properties of 1-nonyl-2-(2-phenylethenyl)benzene?
1-nonyl-2-(2-phenylethenyl)benzene has a molecular weight of 306.49 g/mol, XLogP of 7.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2-(2-phenylethenyl)benzene is sourced from PubChem (CID 91593587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).