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

C19H16Cl2 — CID 79592812

IUPAC1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
SMILESCc1cccc(CC(Cl)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C19H16Cl2/c1-13-5-4-6-14(11-13)12-19(21)17-9-10-18(20)16-8-3-2-7-15(16)17/h2-11,19H,12H2,1H3
InChIKeyNEHNFUORAWAUML-UHFFFAOYSA-N
MW315.24 g/mol
LogP6.32
Rot. Bonds3

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

1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene (PubChem CID 79592812) has the molecular formula C19H16Cl2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
PubChem CID79592812
Molecular FormulaC19H16Cl2
Molecular Weight315.24 g/mol
Exact Mass314.06
IUPAC Name1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
SMILESCc1cccc(CC(Cl)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C19H16Cl2/c1-13-5-4-6-14(11-13)12-19(21)17-9-10-18(20)16-8-3-2-7-15(16)17/h2-11,19H,12H2,1H3
InChIKeyNEHNFUORAWAUML-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-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 114025132
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
1-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-5-fluoro-4-methylbenzene
CID 81050258
1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
CID 79596838
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602
2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63543581
2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
CID 63542188
1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene
CID 63542357
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
1-(2,4-dichlorophenyl)-2-(3-methylphenyl)ethanamine
CID 62387674
1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene
CID 63430097

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene?
The IUPAC name of 1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene (CID 79592812) is 1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene.
What is the SMILES notation for 1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene?
The canonical SMILES for 1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene is Cc1cccc(CC(Cl)c2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of 1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene?
The InChIKey is NEHNFUORAWAUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2/c1-13-5-4-6-14(11-13)12-19(21)17-9-10-18(20)16-8-3-2-7-15(16)17/h2-11,19H,12H2,1H3.
What are the key properties of 1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene?
1-chloro-4-[1-chloro-2-(3-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-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene is sourced from PubChem (CID 79592812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).