7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene

C22H18BrFO — CID 118637924

IUPAC7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene
SMILESCc1ccc(F)c(-c2ccc(C3CCc4ccc(Br)cc4O3)cc2)c1
InChIInChI=1S/C22H18BrFO/c1-14-2-10-20(24)19(12-14)15-3-5-16(6-4-15)21-11-8-17-7-9-18(23)13-22(17)25-21/h2-7,9-10,12-13,21H,8,11H2,1H3
InChIKeyHMPZOTYXXDBLHB-UHFFFAOYSA-N
MW397.29 g/mol
LogP6.63
Rot. Bonds2

About 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene

7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene (PubChem CID 118637924) has the molecular formula C22H18BrFO and a molecular weight of 397.29 g/mol. Its IUPAC name is 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene
PubChem CID118637924
Molecular FormulaC22H18BrFO
Molecular Weight397.29 g/mol
Exact Mass396.05
IUPAC Name7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene
SMILESCc1ccc(F)c(-c2ccc(C3CCc4ccc(Br)cc4O3)cc2)c1
InChIInChI=1S/C22H18BrFO/c1-14-2-10-20(24)19(12-14)15-3-5-16(6-4-15)21-11-8-17-7-9-18(23)13-22(17)25-21/h2-7,9-10,12-13,21H,8,11H2,1H3
InChIKeyHMPZOTYXXDBLHB-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.29
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene (CID 118637924) is 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene is Cc1ccc(F)c(-c2ccc(C3CCc4ccc(Br)cc4O3)cc2)c1.
What is the InChIKey of 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene?
The InChIKey is HMPZOTYXXDBLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFO/c1-14-2-10-20(24)19(12-14)15-3-5-16(6-4-15)21-11-8-17-7-9-18(23)13-22(17)25-21/h2-7,9-10,12-13,21H,8,11H2,1H3.
What are the key properties of 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene?
7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene has a molecular weight of 397.29 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 118637924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).