3,3-bis(chloromethyl)hexoxybenzene

C14H20Cl2O — CID 79447958

IUPAC3,3-bis(chloromethyl)hexoxybenzene
SMILESCCCC(CCl)(CCl)CCOc1ccccc1
InChIInChI=1S/C14H20Cl2O/c1-2-8-14(11-15,12-16)9-10-17-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyWPLWWKZABPZNNB-UHFFFAOYSA-N
MW275.22 g/mol
LogP4.72
Rot. Bonds8

About 3,3-bis(chloromethyl)hexoxybenzene

3,3-bis(chloromethyl)hexoxybenzene (PubChem CID 79447958) has the molecular formula C14H20Cl2O and a molecular weight of 275.22 g/mol. Its IUPAC name is 3,3-bis(chloromethyl)hexoxybenzene.

Molecular Properties

Compound Name3,3-bis(chloromethyl)hexoxybenzene
PubChem CID79447958
Molecular FormulaC14H20Cl2O
Molecular Weight275.22 g/mol
Exact Mass274.09
IUPAC Name3,3-bis(chloromethyl)hexoxybenzene
SMILESCCCC(CCl)(CCl)CCOc1ccccc1
InChIInChI=1S/C14H20Cl2O/c1-2-8-14(11-15,12-16)9-10-17-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyWPLWWKZABPZNNB-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 54.72
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

[3-(chloromethyl)-3-ethylheptoxy]benzene
CID 66034921
4,4-bis(bromomethyl)heptoxybenzene
CID 79456499
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
2,2-bis(chloromethyl)pentylbenzene
CID 79447192
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-(2-phenoxyethoxy)pentan-2-ol
CID 141202879
ethoxybenzene;propoxybenzene
CID 67747691
pentoxybenzene;undecane
CID 174778179
2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 63508115
3-ethyl-1-phenoxyheptan-3-amine
CID 65020146

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(chloromethyl)hexoxybenzene?
The IUPAC name of 3,3-bis(chloromethyl)hexoxybenzene (CID 79447958) is 3,3-bis(chloromethyl)hexoxybenzene.
What is the SMILES notation for 3,3-bis(chloromethyl)hexoxybenzene?
The canonical SMILES for 3,3-bis(chloromethyl)hexoxybenzene is CCCC(CCl)(CCl)CCOc1ccccc1.
What is the InChIKey of 3,3-bis(chloromethyl)hexoxybenzene?
The InChIKey is WPLWWKZABPZNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O/c1-2-8-14(11-15,12-16)9-10-17-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of 3,3-bis(chloromethyl)hexoxybenzene?
3,3-bis(chloromethyl)hexoxybenzene has a molecular weight of 275.22 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(chloromethyl)hexoxybenzene is sourced from PubChem (CID 79447958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).