4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene

C17H17Cl — CID 115418008

IUPAC4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(Cl)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C17H17Cl/c1-12-7-10-17(18)16-11-14(8-9-15(12)16)13-5-3-2-4-6-13/h2-6,8-9,11-12,17H,7,10H2,1H3
InChIKeyFIUQSKXMDJPTHU-UHFFFAOYSA-N
MW256.78 g/mol
LogP5.53
Rot. Bonds1

About 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene

4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 115418008) has the molecular formula C17H17Cl and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene
PubChem CID115418008
Molecular FormulaC17H17Cl
Molecular Weight256.78 g/mol
Exact Mass256.10
IUPAC Name4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(Cl)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C17H17Cl/c1-12-7-10-17(18)16-11-14(8-9-15(12)16)13-5-3-2-4-6-13/h2-6,8-9,11-12,17H,7,10H2,1H3
InChIKeyFIUQSKXMDJPTHU-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.78
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene (CID 115418008) is 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene is CC1CCC(Cl)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FIUQSKXMDJPTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl/c1-12-7-10-17(18)16-11-14(8-9-15(12)16)13-5-3-2-4-6-13/h2-6,8-9,11-12,17H,7,10H2,1H3.
What are the key properties of 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene?
4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 256.78 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 115418008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).