2-(3-iodobutyl)naphthalene

C14H15I — CID 162353144

IUPAC2-(3-iodobutyl)naphthalene
SMILESCC(I)CCc1ccc2ccccc2c1
InChIInChI=1S/C14H15I/c1-11(15)6-7-12-8-9-13-4-2-3-5-14(13)10-12/h2-5,8-11H,6-7H2,1H3
InChIKeyGYRPZDAHJXUOAD-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.60
Rot. Bonds3

About 2-(3-iodobutyl)naphthalene

2-(3-iodobutyl)naphthalene (PubChem CID 162353144) has the molecular formula C14H15I and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-(3-iodobutyl)naphthalene.

Molecular Properties

Compound Name2-(3-iodobutyl)naphthalene
PubChem CID162353144
Molecular FormulaC14H15I
Molecular Weight310.18 g/mol
Exact Mass310.02
IUPAC Name2-(3-iodobutyl)naphthalene
SMILESCC(I)CCc1ccc2ccccc2c1
InChIInChI=1S/C14H15I/c1-11(15)6-7-12-8-9-13-4-2-3-5-14(13)10-12/h2-5,8-11H,6-7H2,1H3
InChIKeyGYRPZDAHJXUOAD-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
6-naphthalen-2-ylhexan-2-ol
CID 19933710
(1R)-3-naphthalen-2-yl-1-phenylpropan-1-ol
CID 171482397
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
N-methyl-3-naphthalen-2-yl-1-phenylpropan-1-amine
CID 64500131
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride
CID 117047105
CID 57459119
CID 57459119
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
2-(5,5-difluoropentyl)naphthalene
CID 68979271
2-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 113407203
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodobutyl)naphthalene?
The IUPAC name of 2-(3-iodobutyl)naphthalene (CID 162353144) is 2-(3-iodobutyl)naphthalene.
What is the SMILES notation for 2-(3-iodobutyl)naphthalene?
The canonical SMILES for 2-(3-iodobutyl)naphthalene is CC(I)CCc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-iodobutyl)naphthalene?
The InChIKey is GYRPZDAHJXUOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15I/c1-11(15)6-7-12-8-9-13-4-2-3-5-14(13)10-12/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 2-(3-iodobutyl)naphthalene?
2-(3-iodobutyl)naphthalene has a molecular weight of 310.18 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodobutyl)naphthalene is sourced from PubChem (CID 162353144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).