1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C18H18Cl2 — CID 106869188

IUPAC1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(CC2CCc3ccccc3C2Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2/c1-12-6-7-14(17(19)10-12)11-15-9-8-13-4-2-3-5-16(13)18(15)20/h2-7,10,15,18H,8-9,11H2,1H3
InChIKeyJCTLWACFTMKPNB-UHFFFAOYSA-N
MW305.25 g/mol
LogP5.73
Rot. Bonds2

About 1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 106869188) has the molecular formula C18H18Cl2 and a molecular weight of 305.25 g/mol. Its IUPAC name is 1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID106869188
Molecular FormulaC18H18Cl2
Molecular Weight305.25 g/mol
Exact Mass304.08
IUPAC Name1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(CC2CCc3ccccc3C2Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2/c1-12-6-7-14(17(19)10-12)11-15-9-8-13-4-2-3-5-16(13)18(15)20/h2-7,10,15,18H,8-9,11H2,1H3
InChIKeyJCTLWACFTMKPNB-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.25
LogP ≤ 55.73
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-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459508
5-chloro-6-[(2-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63460777
1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459141
2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46230878
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106862360
2-[(2-bromo-5-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 65327001
1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 63460579
1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63460578
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63400274
[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine
CID 106870924
3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
CID 106870221
2-[(3-bromo-4-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63460223

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 106869188) is 1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Cc1ccc(CC2CCc3ccccc3C2Cl)c(Cl)c1.
What is the InChIKey of 1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JCTLWACFTMKPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2/c1-12-6-7-14(17(19)10-12)11-15-9-8-13-4-2-3-5-16(13)18(15)20/h2-7,10,15,18H,8-9,11H2,1H3.
What are the key properties of 1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 305.25 g/mol, XLogP of 5.73, 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-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 106869188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).