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

C16H16ClFO3 — CID 61085421

IUPAC2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Cl)c1c(OC)cccc1OC
InChIInChI=1S/C16H16ClFO3/c1-19-12-8-7-10(18)9-11(12)16(17)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,1-3H3
InChIKeyCSXSNJJHGNQMOL-UHFFFAOYSA-N
MW310.75 g/mol
LogP4.18
Rot. Bonds5

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

2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene (PubChem CID 61085421) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
PubChem CID61085421
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Cl)c1c(OC)cccc1OC
InChIInChI=1S/C16H16ClFO3/c1-19-12-8-7-10(18)9-11(12)16(17)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,1-3H3
InChIKeyCSXSNJJHGNQMOL-UHFFFAOYSA-N
XLogP4.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
1,3-dichloro-2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 63433354
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
CID 61083604
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
2-(1-chloro-2,2-difluoroethyl)-4-fluoro-1-methoxybenzene
CID 103514435
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene
CID 61086434
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]-2-methylfuran
CID 61086437
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879793
1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 177172407

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene (CID 61085421) is 2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1C(Cl)c1c(OC)cccc1OC.
What is the InChIKey of 2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene?
The InChIKey is CSXSNJJHGNQMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-19-12-8-7-10(18)9-11(12)16(17)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,1-3H3.
What are the key properties of 2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene?
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene has a molecular weight of 310.75 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 61085421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).