4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene

C18H18Cl2 — CID 66036109

IUPAC4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
SMILESClCC1(Cc2ccccc2Cl)CCCc2ccccc21
InChIInChI=1S/C18H18Cl2/c19-13-18(12-15-7-2-4-10-17(15)20)11-5-8-14-6-1-3-9-16(14)18/h1-4,6-7,9-10H,5,8,11-13H2
InChIKeyNXETXNIZZYKBRC-UHFFFAOYSA-N
MW305.25 g/mol
LogP5.40
Rot. Bonds3

About 4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene

4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene (PubChem CID 66036109) has the molecular formula C18H18Cl2 and a molecular weight of 305.25 g/mol. Its IUPAC name is 4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
PubChem CID66036109
Molecular FormulaC18H18Cl2
Molecular Weight305.25 g/mol
Exact Mass304.08
IUPAC Name4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
SMILESClCC1(Cc2ccccc2Cl)CCCc2ccccc21
InChIInChI=1S/C18H18Cl2/c19-13-18(12-15-7-2-4-10-17(15)20)11-5-8-14-6-1-3-9-16(14)18/h1-4,6-7,9-10H,5,8,11-13H2
InChIKeyNXETXNIZZYKBRC-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.25
LogP ≤ 55.40
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-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene (CID 66036109) is 4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene is ClCC1(Cc2ccccc2Cl)CCCc2ccccc21.
What is the InChIKey of 4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
The InChIKey is NXETXNIZZYKBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2/c19-13-18(12-15-7-2-4-10-17(15)20)11-5-8-14-6-1-3-9-16(14)18/h1-4,6-7,9-10H,5,8,11-13H2.
What are the key properties of 4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene has a molecular weight of 305.25 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 66036109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).