6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene

C17H16BrClO — CID 63435145

IUPAC6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene
SMILESClC(Cc1cccc(Br)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H16BrClO/c18-15-5-1-3-12(9-15)10-16(19)13-6-7-17-14(11-13)4-2-8-20-17/h1,3,5-7,9,11,16H,2,4,8,10H2
InChIKeyQIWYVAOOAHIWOC-UHFFFAOYSA-N
MW351.67 g/mol
LogP5.30
Rot. Bonds3

About 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene

6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene (PubChem CID 63435145) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene
PubChem CID63435145
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene
SMILESClC(Cc1cccc(Br)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H16BrClO/c18-15-5-1-3-12(9-15)10-16(19)13-6-7-17-14(11-13)4-2-8-20-17/h1,3,5-7,9,11,16H,2,4,8,10H2
InChIKeyQIWYVAOOAHIWOC-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.67
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran
CID 61086151
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
7-[1-bromo-2-(3-bromophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63437541
6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
CID 55199306
1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 65447392
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
CID 114458684
6-[1-bromo-2-(3-bromophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63438440
6-[bromo-(3-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444280
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene (CID 63435145) is 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene is ClC(Cc1cccc(Br)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene?
The InChIKey is QIWYVAOOAHIWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO/c18-15-5-1-3-12(9-15)10-16(19)13-6-7-17-14(11-13)4-2-8-20-17/h1,3,5-7,9,11,16H,2,4,8,10H2.
What are the key properties of 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene?
6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene has a molecular weight of 351.67 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 63435145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).