1-bromo-4-(1-chloro-2-methylbutyl)naphthalene

C15H16BrCl — CID 79597577

IUPAC1-bromo-4-(1-chloro-2-methylbutyl)naphthalene
SMILESCCC(C)C(Cl)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrCl/c1-3-10(2)15(17)13-8-9-14(16)12-7-5-4-6-11(12)13/h4-10,15H,3H2,1-2H3
InChIKeyOYRVCAWSCIMTMO-UHFFFAOYSA-N
MW311.65 g/mol
LogP5.93
Rot. Bonds3

About 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene

1-bromo-4-(1-chloro-2-methylbutyl)naphthalene (PubChem CID 79597577) has the molecular formula C15H16BrCl and a molecular weight of 311.65 g/mol. Its IUPAC name is 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(1-chloro-2-methylbutyl)naphthalene
PubChem CID79597577
Molecular FormulaC15H16BrCl
Molecular Weight311.65 g/mol
Exact Mass310.01
IUPAC Name1-bromo-4-(1-chloro-2-methylbutyl)naphthalene
SMILESCCC(C)C(Cl)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrCl/c1-3-10(2)15(17)13-8-9-14(16)12-7-5-4-6-11(12)13/h4-10,15H,3H2,1-2H3
InChIKeyOYRVCAWSCIMTMO-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.65
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene 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-(4-bromonaphthalen-1-yl)propan-1-ol
CID 79597638
1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
CID 79597706
1-bromo-4-(1-chloro-3,3,3-trifluoropropyl)naphthalene
CID 79596741
1-bromo-4-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]naphthalene
CID 79594151
1,4-dibromonaphthalene
CID 162208061
1-(1-chloro-2-ethylbutyl)-4-methoxynaphthalene
CID 63430865
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
1-bromo-4-[chloro-(4-chlorophenyl)methyl]naphthalene
CID 79597714
1-bromo-4-[chloro-(3-methoxyphenyl)methyl]naphthalene
CID 79591185
1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
CID 81482247
N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
CID 79596933
3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene
CID 79597717

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene?
The IUPAC name of 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene (CID 79597577) is 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene.
What is the SMILES notation for 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene?
The canonical SMILES for 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene is CCC(C)C(Cl)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene?
The InChIKey is OYRVCAWSCIMTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl/c1-3-10(2)15(17)13-8-9-14(16)12-7-5-4-6-11(12)13/h4-10,15H,3H2,1-2H3.
What are the key properties of 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene?
1-bromo-4-(1-chloro-2-methylbutyl)naphthalene has a molecular weight of 311.65 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-chloro-2-methylbutyl)naphthalene is sourced from PubChem (CID 79597577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).