6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene

C20H23Cl — CID 63431085

IUPAC6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(CC(Cl)c2ccc3c(c2)CCCC3)cc1C
InChIInChI=1S/C20H23Cl/c1-14-7-8-16(11-15(14)2)12-20(21)19-10-9-17-5-3-4-6-18(17)13-19/h7-11,13,20H,3-6,12H2,1-2H3
InChIKeyWTQSHEQYEHQPTG-UHFFFAOYSA-N
MW298.86 g/mol
LogP5.70
Rot. Bonds3

About 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene

6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63431085) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63431085
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(CC(Cl)c2ccc3c(c2)CCCC3)cc1C
InChIInChI=1S/C20H23Cl/c1-14-7-8-16(11-15(14)2)12-20(21)19-10-9-17-5-3-4-6-18(17)13-19/h7-11,13,20H,3-6,12H2,1-2H3
InChIKeyWTQSHEQYEHQPTG-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 55.70
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

6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63430990
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 55224820
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
4-[2-chloro-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115482897
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 81307831
2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
CID 82880182
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1-(3-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803551
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012

Frequently Asked Questions

What is the IUPAC name of 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 63431085) is 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene is Cc1ccc(CC(Cl)c2ccc3c(c2)CCCC3)cc1C.
What is the InChIKey of 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WTQSHEQYEHQPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c1-14-7-8-16(11-15(14)2)12-20(21)19-10-9-17-5-3-4-6-18(17)13-19/h7-11,13,20H,3-6,12H2,1-2H3.
What are the key properties of 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 298.86 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63431085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).