4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene

C22H17BrO2 — CID 170728384

IUPAC4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene
SMILESBrc1ccc(C2=CCOc3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C22H17BrO2/c23-18-8-6-17(7-9-18)20-12-13-24-22-14-19(10-11-21(20)22)25-15-16-4-2-1-3-5-16/h1-12,14H,13,15H2
InChIKeyFYWICFORUHGLIM-UHFFFAOYSA-N
MW393.28 g/mol
LogP5.85
Rot. Bonds4

About 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene

4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene (PubChem CID 170728384) has the molecular formula C22H17BrO2 and a molecular weight of 393.28 g/mol. Its IUPAC name is 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene.

Molecular Properties

Compound Name4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene
PubChem CID170728384
Molecular FormulaC22H17BrO2
Molecular Weight393.28 g/mol
Exact Mass392.04
IUPAC Name4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene
SMILESBrc1ccc(C2=CCOc3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C22H17BrO2/c23-18-8-6-17(7-9-18)20-12-13-24-22-14-19(10-11-21(20)22)25-15-16-4-2-1-3-5-16/h1-12,14H,13,15H2
InChIKeyFYWICFORUHGLIM-UHFFFAOYSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene
CID 170728358
7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol
CID 23737528
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene
CID 67497871
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
2-bromo-6-phenylmethoxynaphthalene
CID 640595
1-bromo-4-phenylmethoxybenzene;oxolane
CID 175495084
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
2-(4-bromophenyl)-6-phenylmethoxy-1,4-benzoxathiine
CID 71427811
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene?
The IUPAC name of 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene (CID 170728384) is 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene.
What is the SMILES notation for 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene?
The canonical SMILES for 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene is Brc1ccc(C2=CCOc3cc(OCc4ccccc4)ccc32)cc1.
What is the InChIKey of 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene?
The InChIKey is FYWICFORUHGLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrO2/c23-18-8-6-17(7-9-18)20-12-13-24-22-14-19(10-11-21(20)22)25-15-16-4-2-1-3-5-16/h1-12,14H,13,15H2.
What are the key properties of 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene?
4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene has a molecular weight of 393.28 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene is sourced from PubChem (CID 170728384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).