1-(3-chlorobutan-2-yl)naphthalene

C14H15Cl — CID 66471856

IUPAC1-(3-chlorobutan-2-yl)naphthalene
SMILESCC(Cl)C(C)c1cccc2ccccc12
InChIInChI=1S/C14H15Cl/c1-10(11(2)15)13-9-5-7-12-6-3-4-8-14(12)13/h3-11H,1-2H3
InChIKeyUUJQWQRSTMEHSZ-UHFFFAOYSA-N
MW218.73 g/mol
LogP4.57
Rot. Bonds2

About 1-(3-chlorobutan-2-yl)naphthalene

1-(3-chlorobutan-2-yl)naphthalene (PubChem CID 66471856) has the molecular formula C14H15Cl and a molecular weight of 218.73 g/mol. Its IUPAC name is 1-(3-chlorobutan-2-yl)naphthalene.

Molecular Properties

Compound Name1-(3-chlorobutan-2-yl)naphthalene
PubChem CID66471856
Molecular FormulaC14H15Cl
Molecular Weight218.73 g/mol
Exact Mass218.09
IUPAC Name1-(3-chlorobutan-2-yl)naphthalene
SMILESCC(Cl)C(C)c1cccc2ccccc12
InChIInChI=1S/C14H15Cl/c1-10(11(2)15)13-9-5-7-12-6-3-4-8-14(12)13/h3-11H,1-2H3
InChIKeyUUJQWQRSTMEHSZ-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 54.57
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-(3-chloropentan-2-yl)naphthalene
CID 79308301
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
butane;1-propan-2-ylnaphthalene
CID 157253186
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobutan-2-yl)naphthalene?
The IUPAC name of 1-(3-chlorobutan-2-yl)naphthalene (CID 66471856) is 1-(3-chlorobutan-2-yl)naphthalene.
What is the SMILES notation for 1-(3-chlorobutan-2-yl)naphthalene?
The canonical SMILES for 1-(3-chlorobutan-2-yl)naphthalene is CC(Cl)C(C)c1cccc2ccccc12.
What is the InChIKey of 1-(3-chlorobutan-2-yl)naphthalene?
The InChIKey is UUJQWQRSTMEHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl/c1-10(11(2)15)13-9-5-7-12-6-3-4-8-14(12)13/h3-11H,1-2H3.
What are the key properties of 1-(3-chlorobutan-2-yl)naphthalene?
1-(3-chlorobutan-2-yl)naphthalene has a molecular weight of 218.73 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobutan-2-yl)naphthalene is sourced from PubChem (CID 66471856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).