1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C19H21Cl — CID 63459508

IUPAC1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(C)c(CC2CCc3ccccc3C2Cl)c1
InChIInChI=1S/C19H21Cl/c1-13-7-8-14(2)17(11-13)12-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-8,11,16,19H,9-10,12H2,1-2H3
InChIKeyGNQZIFRXQVVNNW-UHFFFAOYSA-N
MW284.83 g/mol
LogP5.39
Rot. Bonds2

About 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63459508) has the molecular formula C19H21Cl and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63459508
Molecular FormulaC19H21Cl
Molecular Weight284.83 g/mol
Exact Mass284.13
IUPAC Name1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(C)c(CC2CCc3ccccc3C2Cl)c1
InChIInChI=1S/C19H21Cl/c1-13-7-8-14(2)17(11-13)12-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-8,11,16,19H,9-10,12H2,1-2H3
InChIKeyGNQZIFRXQVVNNW-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.83
LogP ≤ 55.39
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-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106869188
1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459141
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
1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 65406106
2-[(3-bromo-4-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63460223
1-chloro-2-(cyclopentylmethyl)-1,2,3,4-tetrahydronaphthalene
CID 63459329
5-chloro-6-[(2-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63460777
1-chloro-2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459139
2-[(2,5-dimethylphenyl)methyl]oxirane
CID 14045723
2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 55091627

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63459508) is 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Cc1ccc(C)c(CC2CCc3ccccc3C2Cl)c1.
What is the InChIKey of 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GNQZIFRXQVVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl/c1-13-7-8-14(2)17(11-13)12-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-8,11,16,19H,9-10,12H2,1-2H3.
What are the key properties of 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 284.83 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63459508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).