1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane

C18H24Br2O — CID 91089449

IUPAC1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
SMILESBrCc1ccccc1Oc1ccccc1CBr.CC.CC
InChIInChI=1S/C14H12Br2O.2C2H6/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16;2*1-2/h1-8H,9-10H2;2*1-2H3
InChIKeyNILZHZGCMPXXQK-UHFFFAOYSA-N
MW416.20 g/mol
LogP7.32
Rot. Bonds4

About 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane

1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane (PubChem CID 91089449) has the molecular formula C18H24Br2O and a molecular weight of 416.20 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane.

Molecular Properties

Compound Name1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
PubChem CID91089449
Molecular FormulaC18H24Br2O
Molecular Weight416.20 g/mol
Exact Mass414.02
IUPAC Name1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
SMILESBrCc1ccccc1Oc1ccccc1CBr.CC.CC
InChIInChI=1S/C14H12Br2O.2C2H6/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16;2*1-2/h1-8H,9-10H2;2*1-2H3
InChIKeyNILZHZGCMPXXQK-UHFFFAOYSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.20
LogP ≤ 57.32
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

2-[2-(bromomethyl)phenoxy]benzonitrile
CID 107086481
1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
CID 75365477
1-(bromomethyl)-2-(4-iodophenoxy)benzene
CID 107087507
1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
CID 107666254
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
1-(bromomethyl)-2-propoxybenzene
CID 43141572
3-[2-(bromomethyl)phenoxy]-4-methylbenzonitrile
CID 107659206
1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene
CID 174422888
4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
CID 107088974
4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
CID 107086359
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
1-(bromomethyl)-2-pentan-2-yloxybenzene
CID 107896126

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane?
The IUPAC name of 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane (CID 91089449) is 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane.
What is the SMILES notation for 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane?
The canonical SMILES for 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane is BrCc1ccccc1Oc1ccccc1CBr.CC.CC.
What is the InChIKey of 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane?
The InChIKey is NILZHZGCMPXXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O.2C2H6/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16;2*1-2/h1-8H,9-10H2;2*1-2H3.
What are the key properties of 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane?
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane has a molecular weight of 416.20 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane is sourced from PubChem (CID 91089449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).