4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene

C20H23Cl — CID 66036331

IUPAC4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene
SMILESCc1cc(C)cc(CC2(CCl)CCCc3ccccc32)c1
InChIInChI=1S/C20H23Cl/c1-15-10-16(2)12-17(11-15)13-20(14-21)9-5-7-18-6-3-4-8-19(18)20/h3-4,6,8,10-12H,5,7,9,13-14H2,1-2H3
InChIKeyARJSTOIEPKKASA-UHFFFAOYSA-N
MW298.86 g/mol
LogP5.36
Rot. Bonds3

About 4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene

4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene (PubChem CID 66036331) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene
PubChem CID66036331
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene
SMILESCc1cc(C)cc(CC2(CCl)CCCc3ccccc32)c1
InChIInChI=1S/C20H23Cl/c1-15-10-16(2)12-17(11-15)13-20(14-21)9-5-7-18-6-3-4-8-19(18)20/h3-4,6,8,10-12H,5,7,9,13-14H2,1-2H3
InChIKeyARJSTOIEPKKASA-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
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-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene (CID 66036331) is 4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene is Cc1cc(C)cc(CC2(CCl)CCCc3ccccc32)c1.
What is the InChIKey of 4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene?
The InChIKey is ARJSTOIEPKKASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c1-15-10-16(2)12-17(11-15)13-20(14-21)9-5-7-18-6-3-4-8-19(18)20/h3-4,6,8,10-12H,5,7,9,13-14H2,1-2H3.
What are the key properties of 4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene?
4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene has a molecular weight of 298.86 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 66036331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).