1-bromo-2-(2,2-diphenoxyethenyl)benzene

C20H15BrO2 — CID 138966515

IUPAC1-bromo-2-(2,2-diphenoxyethenyl)benzene
SMILESBrc1ccccc1C=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H15BrO2/c21-19-14-8-7-9-16(19)15-20(22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-15H
InChIKeyKVPHSVILBKATPW-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.91
Rot. Bonds5

About 1-bromo-2-(2,2-diphenoxyethenyl)benzene

1-bromo-2-(2,2-diphenoxyethenyl)benzene (PubChem CID 138966515) has the molecular formula C20H15BrO2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-bromo-2-(2,2-diphenoxyethenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(2,2-diphenoxyethenyl)benzene
PubChem CID138966515
Molecular FormulaC20H15BrO2
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name1-bromo-2-(2,2-diphenoxyethenyl)benzene
SMILESBrc1ccccc1C=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H15BrO2/c21-19-14-8-7-9-16(19)15-20(22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-15H
InChIKeyKVPHSVILBKATPW-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-2-chloroprop-2-enoic acid
CID 175924975
1-bromo-2-(2,3-dimethylbuta-1,3-dienyl)benzene
CID 145082215
dimethyl 2-[(2-bromophenyl)methylidene]propanedioate
CID 121015852
ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate
CID 67118147
2-(2-bromophenyl)ethenol
CID 174465941
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
(2E)-2-[(2-bromophenyl)methylidene]pentanedioic acid
CID 82160261
(4-acetylphenyl) (E)-3-(2-bromophenyl)prop-2-enoate
CID 8764071
(NZ)-N-[(2-bromophenyl)methylidene]hydroxylamine
CID 5399039
N-[(2-bromophenyl)methylidene]hydroxylamine
CID 736214
1-bromo-2-[(E)-2-nitroprop-1-enyl]benzene
CID 14929119
methyl (Z)-2-(bromomethyl)-3-(2-bromophenyl)prop-2-enoate
CID 46848449

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2-diphenoxyethenyl)benzene?
The IUPAC name of 1-bromo-2-(2,2-diphenoxyethenyl)benzene (CID 138966515) is 1-bromo-2-(2,2-diphenoxyethenyl)benzene.
What is the SMILES notation for 1-bromo-2-(2,2-diphenoxyethenyl)benzene?
The canonical SMILES for 1-bromo-2-(2,2-diphenoxyethenyl)benzene is Brc1ccccc1C=C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-bromo-2-(2,2-diphenoxyethenyl)benzene?
The InChIKey is KVPHSVILBKATPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO2/c21-19-14-8-7-9-16(19)15-20(22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-15H.
What are the key properties of 1-bromo-2-(2,2-diphenoxyethenyl)benzene?
1-bromo-2-(2,2-diphenoxyethenyl)benzene has a molecular weight of 367.24 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,2-diphenoxyethenyl)benzene is sourced from PubChem (CID 138966515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).