1-(2-chloropropyl)naphthalene

C13H13Cl — CID 12809422

IUPAC1-(2-chloropropyl)naphthalene
SMILESCC(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C13H13Cl/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3
InChIKeyMGTJAKMWZCHJDU-UHFFFAOYSA-N
MW204.70 g/mol
LogP4.01
Rot. Bonds2

About 1-(2-chloropropyl)naphthalene

1-(2-chloropropyl)naphthalene (PubChem CID 12809422) has the molecular formula C13H13Cl and a molecular weight of 204.70 g/mol. Its IUPAC name is 1-(2-chloropropyl)naphthalene.

Molecular Properties

Compound Name1-(2-chloropropyl)naphthalene
PubChem CID12809422
Molecular FormulaC13H13Cl
Molecular Weight204.70 g/mol
Exact Mass204.07
IUPAC Name1-(2-chloropropyl)naphthalene
SMILESCC(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C13H13Cl/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3
InChIKeyMGTJAKMWZCHJDU-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 54.01
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-2-naphthalen-1-ylethanol
CID 54087449
1-(2-chloro-4-methylhexyl)naphthalene
CID 114876690
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
1-(3-chloropentyl)naphthalene
CID 63460195
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
1-[2-(chloromethyl)butyl]naphthalene
CID 66034781
3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile
CID 116931776
CID 88509431
CID 88509431
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
CID 125482966

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropyl)naphthalene?
The IUPAC name of 1-(2-chloropropyl)naphthalene (CID 12809422) is 1-(2-chloropropyl)naphthalene.
What is the SMILES notation for 1-(2-chloropropyl)naphthalene?
The canonical SMILES for 1-(2-chloropropyl)naphthalene is CC(Cl)Cc1cccc2ccccc12.
What is the InChIKey of 1-(2-chloropropyl)naphthalene?
The InChIKey is MGTJAKMWZCHJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3.
What are the key properties of 1-(2-chloropropyl)naphthalene?
1-(2-chloropropyl)naphthalene has a molecular weight of 204.70 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropyl)naphthalene is sourced from PubChem (CID 12809422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).