4-(3-bromophenyl)-2-phenyl-4H-chromene

C21H15BrO — CID 102220825

IUPAC4-(3-bromophenyl)-2-phenyl-4H-chromene
SMILESBrc1cccc(C2C=C(c3ccccc3)Oc3ccccc32)c1
InChIInChI=1S/C21H15BrO/c22-17-10-6-9-16(13-17)19-14-21(15-7-2-1-3-8-15)23-20-12-5-4-11-18(19)20/h1-14,19H
InChIKeySQZFMQKFAKWMBY-UHFFFAOYSA-N
MW363.25 g/mol
LogP6.01
Rot. Bonds2

About 4-(3-bromophenyl)-2-phenyl-4H-chromene

4-(3-bromophenyl)-2-phenyl-4H-chromene (PubChem CID 102220825) has the molecular formula C21H15BrO and a molecular weight of 363.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-phenyl-4H-chromene.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-phenyl-4H-chromene
PubChem CID102220825
Molecular FormulaC21H15BrO
Molecular Weight363.25 g/mol
Exact Mass362.03
IUPAC Name4-(3-bromophenyl)-2-phenyl-4H-chromene
SMILESBrc1cccc(C2C=C(c3ccccc3)Oc3ccccc32)c1
InChIInChI=1S/C21H15BrO/c22-17-10-6-9-16(13-17)19-14-21(15-7-2-1-3-8-15)23-20-12-5-4-11-18(19)20/h1-14,19H
InChIKeySQZFMQKFAKWMBY-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.25
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(4-chlorophenyl)-2-phenyl-4H-chromene
CID 71763257
7-methoxy-2,4-diphenyl-4H-chromene
CID 10380919
triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium
CID 98131390
2-(6-bromo-2-phenyl-4H-chromen-4-yl)-3-hydroxy-6-(hydroxymethyl)pyran-4-one
CID 118728917
2-bromo-9-methyl-9H-xanthene
CID 102170918
3-bromo-9H-xanthene-9-carbaldehyde
CID 174494099
9-(benzenesulfonyl)-2-bromo-9H-xanthene
CID 23819363
1-bromo-3-phenylbenzene
CID 16449
2-(4-ethoxyphenyl)-4-(2-methylphenyl)-4H-chromene
CID 2861131
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
2-(4-fluorophenyl)-4-methyl-4H-chromene
CID 70356330
1-bromo-3-phenylbenzene;ethane
CID 163977967

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-phenyl-4H-chromene?
The IUPAC name of 4-(3-bromophenyl)-2-phenyl-4H-chromene (CID 102220825) is 4-(3-bromophenyl)-2-phenyl-4H-chromene.
What is the SMILES notation for 4-(3-bromophenyl)-2-phenyl-4H-chromene?
The canonical SMILES for 4-(3-bromophenyl)-2-phenyl-4H-chromene is Brc1cccc(C2C=C(c3ccccc3)Oc3ccccc32)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-phenyl-4H-chromene?
The InChIKey is SQZFMQKFAKWMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrO/c22-17-10-6-9-16(13-17)19-14-21(15-7-2-1-3-8-15)23-20-12-5-4-11-18(19)20/h1-14,19H.
What are the key properties of 4-(3-bromophenyl)-2-phenyl-4H-chromene?
4-(3-bromophenyl)-2-phenyl-4H-chromene has a molecular weight of 363.25 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-phenyl-4H-chromene is sourced from PubChem (CID 102220825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).