1-phenylethenoxymethylbenzene;tetrabromomethane

C16H14Br4O — CID 174884252

IUPAC1-phenylethenoxymethylbenzene;tetrabromomethane
SMILESBrC(Br)(Br)Br.C=C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O.CBr4/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;2-1(3,4)5/h2-11H,1,12H2;
InChIKeyUMDPSUZRLYFZNA-UHFFFAOYSA-N
MW541.90 g/mol
LogP7.05
Rot. Bonds4

About 1-phenylethenoxymethylbenzene;tetrabromomethane

1-phenylethenoxymethylbenzene;tetrabromomethane (PubChem CID 174884252) has the molecular formula C16H14Br4O and a molecular weight of 541.90 g/mol. Its IUPAC name is 1-phenylethenoxymethylbenzene;tetrabromomethane.

Molecular Properties

Compound Name1-phenylethenoxymethylbenzene;tetrabromomethane
PubChem CID174884252
Molecular FormulaC16H14Br4O
Molecular Weight541.90 g/mol
Exact Mass537.78
IUPAC Name1-phenylethenoxymethylbenzene;tetrabromomethane
SMILESBrC(Br)(Br)Br.C=C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O.CBr4/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;2-1(3,4)5/h2-11H,1,12H2;
InChIKeyUMDPSUZRLYFZNA-UHFFFAOYSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.90
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene
CID 21253623
1-phenylethenoxymethylsilane
CID 165045488
2-phenylmethoxyprop-2-enenitrile
CID 23172777
benzyl benzoate
CID 2345
lithium 1-phenylmethoxyethenolate
CID 23696401
2-phenylmethoxyprop-2-enoic acid
CID 14954752
benzene-1,3-dicarboxylic acid;benzyl 2-methylprop-2-enoate
CID 70522984
benzyl (E)-N-hydroxybenzenecarboximidate
CID 102268973
benzyl N-(2-phenylprop-2-enoyl)carbamate
CID 139252880
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
1-(3-methylidenecyclobutyl)ethenoxymethylbenzene
CID 169213404
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180

Frequently Asked Questions

What is the IUPAC name of 1-phenylethenoxymethylbenzene;tetrabromomethane?
The IUPAC name of 1-phenylethenoxymethylbenzene;tetrabromomethane (CID 174884252) is 1-phenylethenoxymethylbenzene;tetrabromomethane.
What is the SMILES notation for 1-phenylethenoxymethylbenzene;tetrabromomethane?
The canonical SMILES for 1-phenylethenoxymethylbenzene;tetrabromomethane is BrC(Br)(Br)Br.C=C(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethenoxymethylbenzene;tetrabromomethane?
The InChIKey is UMDPSUZRLYFZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.CBr4/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;2-1(3,4)5/h2-11H,1,12H2;.
What are the key properties of 1-phenylethenoxymethylbenzene;tetrabromomethane?
1-phenylethenoxymethylbenzene;tetrabromomethane has a molecular weight of 541.90 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenoxymethylbenzene;tetrabromomethane is sourced from PubChem (CID 174884252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).