2-[chloro-(4-propylphenyl)methyl]naphthalene

C20H19Cl — CID 63432067

IUPAC2-[chloro-(4-propylphenyl)methyl]naphthalene
SMILESCCCc1ccc(C(Cl)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19Cl/c1-2-5-15-8-10-17(11-9-15)20(21)19-13-12-16-6-3-4-7-18(16)14-19/h3-4,6-14,20H,2,5H2,1H3
InChIKeyWLUPXITZYOMMIH-UHFFFAOYSA-N
MW294.83 g/mol
LogP6.12
Rot. Bonds4

About 2-[chloro-(4-propylphenyl)methyl]naphthalene

2-[chloro-(4-propylphenyl)methyl]naphthalene (PubChem CID 63432067) has the molecular formula C20H19Cl and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[chloro-(4-propylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name2-[chloro-(4-propylphenyl)methyl]naphthalene
PubChem CID63432067
Molecular FormulaC20H19Cl
Molecular Weight294.83 g/mol
Exact Mass294.12
IUPAC Name2-[chloro-(4-propylphenyl)methyl]naphthalene
SMILESCCCc1ccc(C(Cl)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19Cl/c1-2-5-15-8-10-17(11-9-15)20(21)19-13-12-16-6-3-4-7-18(16)14-19/h3-4,6-14,20H,2,5H2,1H3
InChIKeyWLUPXITZYOMMIH-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.83
LogP ≤ 56.12
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-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
4-[chloro-(4-propylphenyl)methyl]-2-methylfuran
CID 114822429
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 55199662
2-(2-chlorobutyl)naphthalene
CID 21490588
1-butyl-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63431815
1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
CID 107955938
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
1-(1-chloropropyl)-4-propylbenzene
CID 63432383
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene
CID 153192882
2-(4-chloropentan-2-yl)naphthalene
CID 64719465
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-propylphenyl)methyl]naphthalene?
The IUPAC name of 2-[chloro-(4-propylphenyl)methyl]naphthalene (CID 63432067) is 2-[chloro-(4-propylphenyl)methyl]naphthalene.
What is the SMILES notation for 2-[chloro-(4-propylphenyl)methyl]naphthalene?
The canonical SMILES for 2-[chloro-(4-propylphenyl)methyl]naphthalene is CCCc1ccc(C(Cl)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[chloro-(4-propylphenyl)methyl]naphthalene?
The InChIKey is WLUPXITZYOMMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl/c1-2-5-15-8-10-17(11-9-15)20(21)19-13-12-16-6-3-4-7-18(16)14-19/h3-4,6-14,20H,2,5H2,1H3.
What are the key properties of 2-[chloro-(4-propylphenyl)methyl]naphthalene?
2-[chloro-(4-propylphenyl)methyl]naphthalene has a molecular weight of 294.83 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-propylphenyl)methyl]naphthalene is sourced from PubChem (CID 63432067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).