6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene

C16H13BrCl2O — CID 107957741

IUPAC6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
SMILESClc1cc(Br)cc(C(Cl)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C16H13BrCl2O/c17-13-7-12(8-14(18)9-13)16(19)11-3-4-15-10(6-11)2-1-5-20-15/h3-4,6-9,16H,1-2,5H2
InChIKeyFJZSWYZIXORXPG-UHFFFAOYSA-N
MW372.09 g/mol
LogP5.76
Rot. Bonds2

About 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene

6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene (PubChem CID 107957741) has the molecular formula C16H13BrCl2O and a molecular weight of 372.09 g/mol. Its IUPAC name is 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
PubChem CID107957741
Molecular FormulaC16H13BrCl2O
Molecular Weight372.09 g/mol
Exact Mass369.95
IUPAC Name6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
SMILESClc1cc(Br)cc(C(Cl)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C16H13BrCl2O/c17-13-7-12(8-14(18)9-13)16(19)11-3-4-15-10(6-11)2-1-5-20-15/h3-4,6-9,16H,1-2,5H2
InChIKeyFJZSWYZIXORXPG-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.09
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430473
6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317
6-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 63434925
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107947446
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
CID 107955839

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene (CID 107957741) is 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene is Clc1cc(Br)cc(C(Cl)c2ccc3c(c2)CCCO3)c1.
What is the InChIKey of 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene?
The InChIKey is FJZSWYZIXORXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2O/c17-13-7-12(8-14(18)9-13)16(19)11-3-4-15-10(6-11)2-1-5-20-15/h3-4,6-9,16H,1-2,5H2.
What are the key properties of 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene?
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene has a molecular weight of 372.09 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 107957741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).