4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene

C16H14BrClO2 — CID 104768530

IUPAC4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESClc1ccc(Br)cc1OCC1CCOc2ccccc21
InChIInChI=1S/C16H14BrClO2/c17-12-5-6-14(18)16(9-12)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-6,9,11H,7-8,10H2
InChIKeyUSASFYYGFFTNJS-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.05
Rot. Bonds3

About 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene

4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene (PubChem CID 104768530) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene
PubChem CID104768530
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESClc1ccc(Br)cc1OCC1CCOc2ccccc21
InChIInChI=1S/C16H14BrClO2/c17-12-5-6-14(18)16(9-12)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-6,9,11H,7-8,10H2
InChIKeyUSASFYYGFFTNJS-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768072
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768778
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
CID 104768732
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150
3-[(5-bromo-2-chlorophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220792
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103792365
4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768773

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene (CID 104768530) is 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene is Clc1ccc(Br)cc1OCC1CCOc2ccccc21.
What is the InChIKey of 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is USASFYYGFFTNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c17-12-5-6-14(18)16(9-12)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-6,9,11H,7-8,10H2.
What are the key properties of 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene?
4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 353.64 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 104768530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).