(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone

C16H11BrClFO2 — CID 106761804

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1F)C1CCOc2ccccc21
InChIInChI=1S/C16H11BrClFO2/c17-12-6-5-11(15(19)14(12)18)16(20)10-7-8-21-13-4-2-1-3-9(10)13/h1-6,10H,7-8H2
InChIKeyGIRYLDCIJNMROQ-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.99
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone

(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone (PubChem CID 106761804) has the molecular formula C16H11BrClFO2 and a molecular weight of 369.62 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone
PubChem CID106761804
Molecular FormulaC16H11BrClFO2
Molecular Weight369.62 g/mol
Exact Mass367.96
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1F)C1CCOc2ccccc21
InChIInChI=1S/C16H11BrClFO2/c17-12-6-5-11(15(19)14(12)18)16(20)10-7-8-21-13-4-2-1-3-9(10)13/h1-6,10H,7-8H2
InChIKeyGIRYLDCIJNMROQ-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 106764282
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 106762643
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63708637
(4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 106764298
(4-bromo-3-chloro-2-fluorophenyl)-(4,4-dimethylcyclohexyl)methanone
CID 106761798
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79041186
3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
CID 63709183
1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709213
3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 63708813
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408732
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone (CID 106761804) is (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone is O=C(c1ccc(Br)c(Cl)c1F)C1CCOc2ccccc21.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone?
The InChIKey is GIRYLDCIJNMROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFO2/c17-12-6-5-11(15(19)14(12)18)16(20)10-7-8-21-13-4-2-1-3-9(10)13/h1-6,10H,7-8H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone has a molecular weight of 369.62 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanone is sourced from PubChem (CID 106761804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).