2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene

C15H13ClF2O2 — CID 65434058

IUPAC2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Cl)c1c(F)cccc1OC
InChIInChI=1S/C15H13ClF2O2/c1-19-12-7-6-9(17)8-10(12)15(16)14-11(18)4-3-5-13(14)20-2/h3-8,15H,1-2H3
InChIKeySSRGIXFSRLQITK-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.31
Rot. Bonds4

About 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene

2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene (PubChem CID 65434058) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
PubChem CID65434058
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Cl)c1c(F)cccc1OC
InChIInChI=1S/C15H13ClF2O2/c1-19-12-7-6-9(17)8-10(12)15(16)14-11(18)4-3-5-13(14)20-2/h3-8,15H,1-2H3
InChIKeySSRGIXFSRLQITK-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
1,3-dichloro-2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 63433354
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
2-[chloro-(3,4-dimethoxyphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65431934
1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 65432513
1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 177172407
2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
CID 61083604
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene
CID 65434254
2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene
CID 65434828
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene (CID 65434058) is 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1C(Cl)c1c(F)cccc1OC.
What is the InChIKey of 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene?
The InChIKey is SSRGIXFSRLQITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-19-12-7-6-9(17)8-10(12)15(16)14-11(18)4-3-5-13(14)20-2/h3-8,15H,1-2H3.
What are the key properties of 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene?
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene has a molecular weight of 298.72 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 65434058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).