1-bromo-4-tetradecylbenzene

C20H33Br — CID 71337489

IUPAC1-bromo-4-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccc(Br)cc1
InChIInChI=1S/C20H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h15-18H,2-14H2,1H3
InChIKeyZIGYGXRSDMQIFS-UHFFFAOYSA-N
MW353.39 g/mol
LogP7.69
Rot. Bonds13

About 1-bromo-4-tetradecylbenzene

1-bromo-4-tetradecylbenzene (PubChem CID 71337489) has the molecular formula C20H33Br and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-bromo-4-tetradecylbenzene.

Molecular Properties

Compound Name1-bromo-4-tetradecylbenzene
PubChem CID71337489
Molecular FormulaC20H33Br
Molecular Weight353.39 g/mol
Exact Mass352.18
IUPAC Name1-bromo-4-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccc(Br)cc1
InChIInChI=1S/C20H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h15-18H,2-14H2,1H3
InChIKeyZIGYGXRSDMQIFS-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-tetradecylbenzene 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-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-[2-(4-nonylphenyl)ethynyl]benzene
CID 71382203
2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 59147599
1-butyl-4-nonylbenzene
CID 59545302
1-(2-bromoethyl)-4-decylbenzene
CID 70453406
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-bromo-1-[4-bromo-2-(4-hexylphenyl)phenyl]-2-(4-hexylphenyl)benzene
CID 129157265
1-methyl-4-octylbenzene
CID 11052746
1,4-dibromobenzene;4-hexylaniline;4-hexyl-N-[4-[(4-hexylphenyl)methyl]phenyl]aniline
CID 159548362

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-tetradecylbenzene?
The IUPAC name of 1-bromo-4-tetradecylbenzene (CID 71337489) is 1-bromo-4-tetradecylbenzene.
What is the SMILES notation for 1-bromo-4-tetradecylbenzene?
The canonical SMILES for 1-bromo-4-tetradecylbenzene is CCCCCCCCCCCCCCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-tetradecylbenzene?
The InChIKey is ZIGYGXRSDMQIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h15-18H,2-14H2,1H3.
What are the key properties of 1-bromo-4-tetradecylbenzene?
1-bromo-4-tetradecylbenzene has a molecular weight of 353.39 g/mol, XLogP of 7.69, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-tetradecylbenzene is sourced from PubChem (CID 71337489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).