4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene

C20H16BrClO — CID 66875668

IUPAC4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene
SMILESClc1ccc(Br)cc1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H16BrClO/c21-18-8-11-20(22)17(13-18)12-15-6-9-19(10-7-15)23-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2
InChIKeyQAPVXVGGRPFUNU-UHFFFAOYSA-N
MW387.70 g/mol
LogP6.27
Rot. Bonds5

About 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene

4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene (PubChem CID 66875668) has the molecular formula C20H16BrClO and a molecular weight of 387.70 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene
PubChem CID66875668
Molecular FormulaC20H16BrClO
Molecular Weight387.70 g/mol
Exact Mass386.01
IUPAC Name4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene
SMILESClc1ccc(Br)cc1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H16BrClO/c21-18-8-11-20(22)17(13-18)12-15-6-9-19(10-7-15)23-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2
InChIKeyQAPVXVGGRPFUNU-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.70
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59557784
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5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
CID 19918528
4-bromo-1-chloro-2-[[4-(2-ethenoxypropoxy)phenyl]methyl]benzene
CID 59557786
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene (CID 66875668) is 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene is Clc1ccc(Br)cc1Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene?
The InChIKey is QAPVXVGGRPFUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClO/c21-18-8-11-20(22)17(13-18)12-15-6-9-19(10-7-15)23-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2.
What are the key properties of 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene?
4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene has a molecular weight of 387.70 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene is sourced from PubChem (CID 66875668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).