1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene

C14H19Cl — CID 63460578

IUPAC1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)CC1CCc2ccccc2C1Cl
InChIInChI=1S/C14H19Cl/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12,14H,7-9H2,1-2H3
InChIKeyJKWKNQDOJKEKKD-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.57
Rot. Bonds2

About 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene

1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 63460578) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID63460578
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)CC1CCc2ccccc2C1Cl
InChIInChI=1S/C14H19Cl/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12,14H,7-9H2,1-2H3
InChIKeyJKWKNQDOJKEKKD-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.57
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-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 63460579
1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63459510
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene
CID 63459329
2-(2-methylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403727
1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459508
1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106869188
3-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214566
2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 55091627
2-[(3-bromo-4-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63460223
1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459141
1-ethyl-2,3-dihydro-1H-indene
CID 20971

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene (CID 63460578) is 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene is CC(C)CC1CCc2ccccc2C1Cl.
What is the InChIKey of 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JKWKNQDOJKEKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,10,12,14H,7-9H2,1-2H3.
What are the key properties of 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene?
1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 222.76 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63460578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).