1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene

C19H16Cl2 — CID 63518155

IUPAC1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
SMILESCc1ccc(C(Cl)Cc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C19H16Cl2/c1-13-9-10-16(12-18(13)20)19(21)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12,19H,11H2,1H3
InChIKeyBMQKSQBFOFCVBS-UHFFFAOYSA-N
MW315.24 g/mol
LogP6.32
Rot. Bonds3

About 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene

1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene (PubChem CID 63518155) has the molecular formula C19H16Cl2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
PubChem CID63518155
Molecular FormulaC19H16Cl2
Molecular Weight315.24 g/mol
Exact Mass314.06
IUPAC Name1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
SMILESCc1ccc(C(Cl)Cc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C19H16Cl2/c1-13-9-10-16(12-18(13)20)19(21)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12,19H,11H2,1H3
InChIKeyBMQKSQBFOFCVBS-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 56.32
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

1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
CID 63519540
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
1-[2-(4-bromo-2-methylphenyl)-2-chloroethyl]naphthalene
CID 63519350
2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
CID 63520416
1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene
CID 107983852
1-(2-chloropropyl)naphthalene
CID 12809422
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
CID 66458987
1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
CID 81476246
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene
CID 63519535
1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
CID 81475739

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene?
The IUPAC name of 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene (CID 63518155) is 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene?
The canonical SMILES for 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene is Cc1ccc(C(Cl)Cc2cccc3ccccc23)cc1Cl.
What is the InChIKey of 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene?
The InChIKey is BMQKSQBFOFCVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2/c1-13-9-10-16(12-18(13)20)19(21)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12,19H,11H2,1H3.
What are the key properties of 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene?
1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene has a molecular weight of 315.24 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene is sourced from PubChem (CID 63518155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).