6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene

C16H13Cl2FO — CID 63435317

IUPAC6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESFc1ccc(Cl)cc1C(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H13Cl2FO/c17-12-4-5-14(19)13(9-12)16(18)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16H,1-2,7H2
InChIKeyOUZWUCBZVSWRHM-UHFFFAOYSA-N
MW311.18 g/mol
LogP5.13
Rot. Bonds2

About 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene

6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 63435317) has the molecular formula C16H13Cl2FO and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID63435317
Molecular FormulaC16H13Cl2FO
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESFc1ccc(Cl)cc1C(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H13Cl2FO/c17-12-4-5-14(19)13(9-12)16(18)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16H,1-2,7H2
InChIKeyOUZWUCBZVSWRHM-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.18
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-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

6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434838
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
6-[bromo-(5-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 82891172
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
7-[(5-bromo-2-fluorophenyl)-chloromethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63429585
5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene (CID 63435317) is 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene is Fc1ccc(Cl)cc1C(Cl)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is OUZWUCBZVSWRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO/c17-12-4-5-14(19)13(9-12)16(18)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16H,1-2,7H2.
What are the key properties of 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene?
6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 311.18 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 63435317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).