3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene

C19H21BrO — CID 166773484

IUPAC3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene
SMILESCC(C)Cc1ccc2c(c1)CC(c1ccc(Br)cc1)CO2
InChIInChI=1S/C19H21BrO/c1-13(2)9-14-3-8-19-16(10-14)11-17(12-21-19)15-4-6-18(20)7-5-15/h3-8,10,13,17H,9,11-12H2,1-2H3
InChIKeyIRFFJIZQKMGBKF-UHFFFAOYSA-N
MW345.28 g/mol
LogP5.37
Rot. Bonds3

About 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene

3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene (PubChem CID 166773484) has the molecular formula C19H21BrO and a molecular weight of 345.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene
PubChem CID166773484
Molecular FormulaC19H21BrO
Molecular Weight345.28 g/mol
Exact Mass344.08
IUPAC Name3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene
SMILESCC(C)Cc1ccc2c(c1)CC(c1ccc(Br)cc1)CO2
InChIInChI=1S/C19H21BrO/c1-13(2)9-14-3-8-19-16(10-14)11-17(12-21-19)15-4-6-18(20)7-5-15/h3-8,10,13,17H,9,11-12H2,1-2H3
InChIKeyIRFFJIZQKMGBKF-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.28
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene (CID 166773484) is 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene is CC(C)Cc1ccc2c(c1)CC(c1ccc(Br)cc1)CO2.
What is the InChIKey of 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene?
The InChIKey is IRFFJIZQKMGBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO/c1-13(2)9-14-3-8-19-16(10-14)11-17(12-21-19)15-4-6-18(20)7-5-15/h3-8,10,13,17H,9,11-12H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene?
3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene has a molecular weight of 345.28 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 166773484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).