1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene

C19H15Cl3 — CID 71370603

IUPAC1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene
SMILESCc1ccccc1C(c1cccc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C19H15Cl3/c1-13-7-2-4-10-15(13)18(19(20,21)22)17-12-6-9-14-8-3-5-11-16(14)17/h2-12,18H,1H3
InChIKeyIBWHSBCOYQUERR-UHFFFAOYSA-N
MW349.69 g/mol
LogP6.65
Rot. Bonds2

About 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene

1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene (PubChem CID 71370603) has the molecular formula C19H15Cl3 and a molecular weight of 349.69 g/mol. Its IUPAC name is 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene
PubChem CID71370603
Molecular FormulaC19H15Cl3
Molecular Weight349.69 g/mol
Exact Mass348.02
IUPAC Name1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene
SMILESCc1ccccc1C(c1cccc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C19H15Cl3/c1-13-7-2-4-10-15(13)18(19(20,21)22)17-12-6-9-14-8-3-5-11-16(14)17/h2-12,18H,1H3
InChIKeyIBWHSBCOYQUERR-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.69
LogP ≤ 56.65
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

N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
2,2,2-trichloro-1-naphthalen-1-ylethanamine
CID 101218530
2-cyano-2-[(2,6-dimethylphenyl)-naphthalen-1-ylmethyl]-3,3-dimethylbutanoic acid
CID 69132969
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
CID 174906138
CID 174906138
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol
CID 167919622
[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105301219

Frequently Asked Questions

What is the IUPAC name of 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene?
The IUPAC name of 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene (CID 71370603) is 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene?
The canonical SMILES for 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene is Cc1ccccc1C(c1cccc2ccccc12)C(Cl)(Cl)Cl.
What is the InChIKey of 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene?
The InChIKey is IBWHSBCOYQUERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3/c1-13-7-2-4-10-15(13)18(19(20,21)22)17-12-6-9-14-8-3-5-11-16(14)17/h2-12,18H,1H3.
What are the key properties of 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene?
1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene has a molecular weight of 349.69 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene is sourced from PubChem (CID 71370603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).