1-bromo-3-chloropentadecane

C15H30BrCl — CID 122583656

IUPAC1-bromo-3-chloropentadecane
SMILESCCCCCCCCCCCCC(Cl)CCBr
InChIInChI=1S/C15H30BrCl/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16/h15H,2-14H2,1H3
InChIKeyQGULMSQJHANAHT-UHFFFAOYSA-N
MW325.76 g/mol
LogP6.69
Rot. Bonds13

About 1-bromo-3-chloropentadecane

1-bromo-3-chloropentadecane (PubChem CID 122583656) has the molecular formula C15H30BrCl and a molecular weight of 325.76 g/mol. Its IUPAC name is 1-bromo-3-chloropentadecane.

Molecular Properties

Compound Name1-bromo-3-chloropentadecane
PubChem CID122583656
Molecular FormulaC15H30BrCl
Molecular Weight325.76 g/mol
Exact Mass324.12
IUPAC Name1-bromo-3-chloropentadecane
SMILESCCCCCCCCCCCCC(Cl)CCBr
InChIInChI=1S/C15H30BrCl/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16/h15H,2-14H2,1H3
InChIKeyQGULMSQJHANAHT-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.76
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-3-chloropentadecane 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

17-chlorotritriacontane
CID 87852962
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920
12-chlorooctacosane;N-methylmethanamine
CID 122611467
9-chlorohexacosane;N-methylmethanamine
CID 122613288
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281
1,4-dibromo-7-chlorododecane
CID 122583599
azane;1,3-dichloropentadecane
CID 87123860
15-(2-bromoethyl)triacontane
CID 121349535
(2S)-1,2-dichlorododecane
CID 98052710
14-(2-bromoethyl)octacosane
CID 121349528

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloropentadecane?
The IUPAC name of 1-bromo-3-chloropentadecane (CID 122583656) is 1-bromo-3-chloropentadecane.
What is the SMILES notation for 1-bromo-3-chloropentadecane?
The canonical SMILES for 1-bromo-3-chloropentadecane is CCCCCCCCCCCCC(Cl)CCBr.
What is the InChIKey of 1-bromo-3-chloropentadecane?
The InChIKey is QGULMSQJHANAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrCl/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16/h15H,2-14H2,1H3.
What are the key properties of 1-bromo-3-chloropentadecane?
1-bromo-3-chloropentadecane has a molecular weight of 325.76 g/mol, XLogP of 6.69, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloropentadecane is sourced from PubChem (CID 122583656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).