1-chloro-4-(1-chloro-3-methylbutyl)naphthalene

C15H16Cl2 — CID 79596838

IUPAC1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
SMILESCC(C)CC(Cl)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H16Cl2/c1-10(2)9-15(17)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,10,15H,9H2,1-2H3
InChIKeyAEDXYBBAGGVECS-UHFFFAOYSA-N
MW267.20 g/mol
LogP5.82
Rot. Bonds3

About 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene

1-chloro-4-(1-chloro-3-methylbutyl)naphthalene (PubChem CID 79596838) has the molecular formula C15H16Cl2 and a molecular weight of 267.20 g/mol. Its IUPAC name is 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene.

Molecular Properties

Compound Name1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
PubChem CID79596838
Molecular FormulaC15H16Cl2
Molecular Weight267.20 g/mol
Exact Mass266.06
IUPAC Name1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
SMILESCC(C)CC(Cl)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H16Cl2/c1-10(2)9-15(17)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,10,15H,9H2,1-2H3
InChIKeyAEDXYBBAGGVECS-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.20
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(1-chloro-3,4,4-trimethylpentyl)naphthalene
CID 79596839
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 79596816
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 79592812
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 79597096
4-(4-chloronaphthalen-1-yl)pentanoic acid
CID 113306220
(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
CID 3246100
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane
CID 164669642
1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
CID 79597516

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene?
The IUPAC name of 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene (CID 79596838) is 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene.
What is the SMILES notation for 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene?
The canonical SMILES for 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene is CC(C)CC(Cl)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene?
The InChIKey is AEDXYBBAGGVECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2/c1-10(2)9-15(17)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene?
1-chloro-4-(1-chloro-3-methylbutyl)naphthalene has a molecular weight of 267.20 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-chloro-3-methylbutyl)naphthalene is sourced from PubChem (CID 79596838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).