1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene

C14H10Cl3FO — CID 63434136

IUPAC1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C14H10Cl3FO/c1-19-8-5-6-9(12(18)7-8)14(17)13-10(15)3-2-4-11(13)16/h2-7,14H,1H3
InChIKeyOKCDJUSVVTXOHV-UHFFFAOYSA-N
MW319.59 g/mol
LogP5.47
Rot. Bonds3

About 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene

1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene (PubChem CID 63434136) has the molecular formula C14H10Cl3FO and a molecular weight of 319.59 g/mol. Its IUPAC name is 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
PubChem CID63434136
Molecular FormulaC14H10Cl3FO
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C14H10Cl3FO/c1-19-8-5-6-9(12(18)7-8)14(17)13-10(15)3-2-4-11(13)16/h2-7,14H,1H3
InChIKeyOKCDJUSVVTXOHV-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.59
LogP ≤ 55.47
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

1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 81265241
1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896
1,3-dichloro-2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 63433354
1-(1-chloro-2,2-dimethylpropyl)-2-fluoro-4-methoxybenzene
CID 61084063
1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 55197963
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
CID 102884472
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-methylfuran
CID 61083480
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057
1-[chloro-(2-chloro-6-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63434780
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene (CID 63434136) is 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene is COc1ccc(C(Cl)c2c(Cl)cccc2Cl)c(F)c1.
What is the InChIKey of 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene?
The InChIKey is OKCDJUSVVTXOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3FO/c1-19-8-5-6-9(12(18)7-8)14(17)13-10(15)3-2-4-11(13)16/h2-7,14H,1H3.
What are the key properties of 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene?
1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene has a molecular weight of 319.59 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 63434136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).