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

C18H18Cl2O — CID 63459141

IUPAC1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc(Cl)cc1CC1CCc2ccccc2C1Cl
InChIInChI=1S/C18H18Cl2O/c1-21-17-9-8-15(19)11-14(17)10-13-7-6-12-4-2-3-5-16(12)18(13)20/h2-5,8-9,11,13,18H,6-7,10H2,1H3
InChIKeyRJXJLFNICUYGDF-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.43
Rot. Bonds3

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

1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63459141) has the molecular formula C18H18Cl2O and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63459141
Molecular FormulaC18H18Cl2O
Molecular Weight321.25 g/mol
Exact Mass320.07
IUPAC Name1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc(Cl)cc1CC1CCc2ccccc2C1Cl
InChIInChI=1S/C18H18Cl2O/c1-21-17-9-8-15(19)11-14(17)10-13-7-6-12-4-2-3-5-16(12)18(13)20/h2-5,8-9,11,13,18H,6-7,10H2,1H3
InChIKeyRJXJLFNICUYGDF-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63460223
2-[(2-bromo-5-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 65327001
1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106869188
1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459508
2-[(5-chloro-2-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103047213
2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 64908394
1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 63460579
2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46230878
3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908984
1-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63460578
3-bromo-4-[(5-chloro-2-methoxyphenyl)methyl]thiolane
CID 83190412
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63459141) is 1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is COc1ccc(Cl)cc1CC1CCc2ccccc2C1Cl.
What is the InChIKey of 1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RJXJLFNICUYGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O/c1-21-17-9-8-15(19)11-14(17)10-13-7-6-12-4-2-3-5-16(12)18(13)20/h2-5,8-9,11,13,18H,6-7,10H2,1H3.
What are the key properties of 1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 321.25 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63459141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).