2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene

C15H11Br2ClO — CID 141333067

IUPAC2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene
SMILESClc1c(C=C(Br)Br)cccc1OCc1ccccc1
InChIInChI=1S/C15H11Br2ClO/c16-14(17)9-12-7-4-8-13(15(12)18)19-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyJWEZSECLQMHRKW-UHFFFAOYSA-N
MW402.51 g/mol
LogP6.01
Rot. Bonds4

About 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene

2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene (PubChem CID 141333067) has the molecular formula C15H11Br2ClO and a molecular weight of 402.51 g/mol. Its IUPAC name is 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene.

Molecular Properties

Compound Name2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene
PubChem CID141333067
Molecular FormulaC15H11Br2ClO
Molecular Weight402.51 g/mol
Exact Mass399.89
IUPAC Name2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene
SMILESClc1c(C=C(Br)Br)cccc1OCc1ccccc1
InChIInChI=1S/C15H11Br2ClO/c16-14(17)9-12-7-4-8-13(15(12)18)19-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyJWEZSECLQMHRKW-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.51
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol
CID 146035386
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
2-bromo-6-phenylmethoxyphenol
CID 67346586
2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid
CID 68515523
2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 175042655
2-(4-chlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 2952464
6-bromo-2-chloro-3-phenylmethoxybenzoic acid
CID 146035320
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
(2-phenylmethoxyphenyl)methylidenehydrazine
CID 78678885

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene?
The IUPAC name of 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene (CID 141333067) is 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene.
What is the SMILES notation for 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene?
The canonical SMILES for 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene is Clc1c(C=C(Br)Br)cccc1OCc1ccccc1.
What is the InChIKey of 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene?
The InChIKey is JWEZSECLQMHRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClO/c16-14(17)9-12-7-4-8-13(15(12)18)19-10-11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene?
2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene has a molecular weight of 402.51 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene is sourced from PubChem (CID 141333067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).