3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan

C15H16Cl2O — CID 83183133

IUPAC3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan
SMILESClCC(CCl)(Cc1ccccc1)Cc1ccoc1
InChIInChI=1S/C15H16Cl2O/c16-11-15(12-17,9-14-6-7-18-10-14)8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2
InChIKeyHHJAAWFVEFWTGR-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.53
Rot. Bonds6

About 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan

3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan (PubChem CID 83183133) has the molecular formula C15H16Cl2O and a molecular weight of 283.20 g/mol. Its IUPAC name is 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan.

Molecular Properties

Compound Name3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan
PubChem CID83183133
Molecular FormulaC15H16Cl2O
Molecular Weight283.20 g/mol
Exact Mass282.06
IUPAC Name3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan
SMILESClCC(CCl)(Cc1ccccc1)Cc1ccoc1
InChIInChI=1S/C15H16Cl2O/c16-11-15(12-17,9-14-6-7-18-10-14)8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2
InChIKeyHHJAAWFVEFWTGR-UHFFFAOYSA-N
XLogP4.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-chloro-2-(2-chloroethyl)-2-(chloromethyl)butyl]benzene
CID 141150481
1-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-3-chlorobenzene
CID 79448029
2,2-bis(chloromethyl)pentylbenzene
CID 79447192
5-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-1,3-thiazole
CID 112645411
2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol
CID 83183437
2-ethyl-2-(furan-3-ylmethyl)butan-1-ol
CID 83183121
1-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-4-chloro-2-fluorobenzene
CID 114862213
3-[chloro(dideuterio)methyl]furan
CID 169436301
4-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-3-chloropyridine
CID 79448298
2-(furan-3-ylmethyl)-2-phenylbutan-1-ol
CID 83183122
1-[2,2-bis(chloromethyl)-3-(4-methylphenyl)propyl]-4-methylbenzene
CID 134888789
dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane
CID 156786949

Frequently Asked Questions

What is the IUPAC name of 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan?
The IUPAC name of 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan (CID 83183133) is 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan.
What is the SMILES notation for 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan?
The canonical SMILES for 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan is ClCC(CCl)(Cc1ccccc1)Cc1ccoc1.
What is the InChIKey of 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan?
The InChIKey is HHJAAWFVEFWTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2O/c16-11-15(12-17,9-14-6-7-18-10-14)8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2.
What are the key properties of 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan?
3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan has a molecular weight of 283.20 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan is sourced from PubChem (CID 83183133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).