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

C17H15Cl3 — CID 63430631

IUPAC6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESClc1ccc(C(Cl)c2ccc3c(c2)CCCC3)cc1Cl
InChIInChI=1S/C17H15Cl3/c18-15-8-7-14(10-16(15)19)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,17H,1-4H2
InChIKeyXSLWSCMZJVJRHT-UHFFFAOYSA-N
MW325.67 g/mol
LogP6.20
Rot. Bonds2

About 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63430631) has the molecular formula C17H15Cl3 and a molecular weight of 325.67 g/mol. Its IUPAC name is 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63430631
Molecular FormulaC17H15Cl3
Molecular Weight325.67 g/mol
Exact Mass324.02
IUPAC Name6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESClc1ccc(C(Cl)c2ccc3c(c2)CCCC3)cc1Cl
InChIInChI=1S/C17H15Cl3/c18-15-8-7-14(10-16(15)19)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,17H,1-4H2
InChIKeyXSLWSCMZJVJRHT-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.67
LogP ≤ 56.20
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-[chloro-(3-chloro-4-iodophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 103210512
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431220
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
CID 63431176
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 114021592
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592
6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 81461136
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63430631) is 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Clc1ccc(C(Cl)c2ccc3c(c2)CCCC3)cc1Cl.
What is the InChIKey of 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XSLWSCMZJVJRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3/c18-15-8-7-14(10-16(15)19)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,17H,1-4H2.
What are the key properties of 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 325.67 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63430631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).