2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene

C20H17BrO2 — CID 91451800

IUPAC2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(OCc3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C20H17BrO2/c1-22-18-11-12-19(20(21)13-18)16-7-9-17(10-8-16)23-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyHPINYUPQBDGRFL-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.70
Rot. Bonds5

About 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene

2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene (PubChem CID 91451800) has the molecular formula C20H17BrO2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene.

Molecular Properties

Compound Name2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
PubChem CID91451800
Molecular FormulaC20H17BrO2
Molecular Weight369.26 g/mol
Exact Mass368.04
IUPAC Name2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(OCc3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C20H17BrO2/c1-22-18-11-12-19(20(21)13-18)16-7-9-17(10-8-16)23-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyHPINYUPQBDGRFL-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
3,6-bis(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)pyridine
CID 18923794
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
2-phenyl-5-phenylmethoxyphenol
CID 123808909
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine
CID 11486400
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene?
The IUPAC name of 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene (CID 91451800) is 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene.
What is the SMILES notation for 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene?
The canonical SMILES for 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene is COc1ccc(-c2ccc(OCc3ccccc3)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene?
The InChIKey is HPINYUPQBDGRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO2/c1-22-18-11-12-19(20(21)13-18)16-7-9-17(10-8-16)23-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3.
What are the key properties of 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene?
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene has a molecular weight of 369.26 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene is sourced from PubChem (CID 91451800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).