1-[2-(chloromethyl)butyl]naphthalene

C15H17Cl — CID 66034781

IUPAC1-[2-(chloromethyl)butyl]naphthalene
SMILESCCC(CCl)Cc1cccc2ccccc12
InChIInChI=1S/C15H17Cl/c1-2-12(11-16)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,2,10-11H2,1H3
InChIKeyHWKFULQMRCBBHS-UHFFFAOYSA-N
MW232.75 g/mol
LogP4.65
Rot. Bonds4

About 1-[2-(chloromethyl)butyl]naphthalene

1-[2-(chloromethyl)butyl]naphthalene (PubChem CID 66034781) has the molecular formula C15H17Cl and a molecular weight of 232.75 g/mol. Its IUPAC name is 1-[2-(chloromethyl)butyl]naphthalene.

Molecular Properties

Compound Name1-[2-(chloromethyl)butyl]naphthalene
PubChem CID66034781
Molecular FormulaC15H17Cl
Molecular Weight232.75 g/mol
Exact Mass232.10
IUPAC Name1-[2-(chloromethyl)butyl]naphthalene
SMILESCCC(CCl)Cc1cccc2ccccc12
InChIInChI=1S/C15H17Cl/c1-2-12(11-16)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,2,10-11H2,1H3
InChIKeyHWKFULQMRCBBHS-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 54.65
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

2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 62531157
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
1-(2-chloropropyl)naphthalene
CID 12809422
1-(2-chloro-4-methylhexyl)naphthalene
CID 114876690
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
1-(2,2-diethoxyethyl)naphthalene
CID 146004800
1-(3-chloropentyl)naphthalene
CID 63460195
[2-(naphthalen-1-ylmethyl)-3-phosphonopropyl]phosphonic acid
CID 88666663
3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile
CID 116931776
azane;1-ethylnaphthalene
CID 19048185

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)butyl]naphthalene?
The IUPAC name of 1-[2-(chloromethyl)butyl]naphthalene (CID 66034781) is 1-[2-(chloromethyl)butyl]naphthalene.
What is the SMILES notation for 1-[2-(chloromethyl)butyl]naphthalene?
The canonical SMILES for 1-[2-(chloromethyl)butyl]naphthalene is CCC(CCl)Cc1cccc2ccccc12.
What is the InChIKey of 1-[2-(chloromethyl)butyl]naphthalene?
The InChIKey is HWKFULQMRCBBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl/c1-2-12(11-16)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,2,10-11H2,1H3.
What are the key properties of 1-[2-(chloromethyl)butyl]naphthalene?
1-[2-(chloromethyl)butyl]naphthalene has a molecular weight of 232.75 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)butyl]naphthalene is sourced from PubChem (CID 66034781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).