4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene

C22H16BrFO2 — CID 170728358

IUPAC4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene
SMILESFc1cc(C2=CCOc3cc(OCc4ccccc4)ccc32)ccc1Br
InChIInChI=1S/C22H16BrFO2/c23-20-9-6-16(12-21(20)24)18-10-11-25-22-13-17(7-8-19(18)22)26-14-15-4-2-1-3-5-15/h1-10,12-13H,11,14H2
InChIKeySBDJCDKUNXUTOW-UHFFFAOYSA-N
MW411.27 g/mol
LogP5.99
Rot. Bonds4

About 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene

4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene (PubChem CID 170728358) has the molecular formula C22H16BrFO2 and a molecular weight of 411.27 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene
PubChem CID170728358
Molecular FormulaC22H16BrFO2
Molecular Weight411.27 g/mol
Exact Mass410.03
IUPAC Name4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene
SMILESFc1cc(C2=CCOc3cc(OCc4ccccc4)ccc32)ccc1Br
InChIInChI=1S/C22H16BrFO2/c23-20-9-6-16(12-21(20)24)18-10-11-25-22-13-17(7-8-19(18)22)26-14-15-4-2-1-3-5-15/h1-10,12-13H,11,14H2
InChIKeySBDJCDKUNXUTOW-UHFFFAOYSA-N
XLogP5.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.27
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene
CID 170728384
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene
CID 67497871
7-[(4-bromophenyl)methoxy]-4-phenyl-2H-chromen-2-ol
CID 23737528
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
4-(dimethoxymethyl)-1-[4-[3-(3,4-dimethylphenyl)-7-phenylmethoxy-2H-chromen-4-yl]-2-fluorophenyl]piperidine
CID 158789412
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
(2Z)-2-[(2-bromophenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2018517

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene (CID 170728358) is 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene is Fc1cc(C2=CCOc3cc(OCc4ccccc4)ccc32)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene?
The InChIKey is SBDJCDKUNXUTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrFO2/c23-20-9-6-16(12-21(20)24)18-10-11-25-22-13-17(7-8-19(18)22)26-14-15-4-2-1-3-5-15/h1-10,12-13H,11,14H2.
What are the key properties of 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene?
4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene has a molecular weight of 411.27 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene is sourced from PubChem (CID 170728358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).