1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene

C16H15ClF2O2 — CID 62865699

IUPAC1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
SMILESCOc1cc(F)c(C(Cl)c2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C16H15ClF2O2/c1-9-4-5-10(6-12(9)18)16(17)11-7-14(20-2)15(21-3)8-13(11)19/h4-8,16H,1-3H3
InChIKeyCZFJJICDHQQRFS-UHFFFAOYSA-N
MW312.74 g/mol
LogP4.62
Rot. Bonds4

About 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene

1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene (PubChem CID 62865699) has the molecular formula C16H15ClF2O2 and a molecular weight of 312.74 g/mol. Its IUPAC name is 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
PubChem CID62865699
Molecular FormulaC16H15ClF2O2
Molecular Weight312.74 g/mol
Exact Mass312.07
IUPAC Name1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
SMILESCOc1cc(F)c(C(Cl)c2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C16H15ClF2O2/c1-9-4-5-10(6-12(9)18)16(17)11-7-14(20-2)15(21-3)8-13(11)19/h4-8,16H,1-3H3
InChIKeyCZFJJICDHQQRFS-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene 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

1-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447592
1-[chloro-(3,4-difluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61085061
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-fluoro-4,5-dimethoxybenzene
CID 107958879
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63434008
4-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434154
2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 81284211
1-[chloro-(2,4-difluorophenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62866237
1-[bromo-(3-chloro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447907
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903
1-[(3-bromo-4-methylphenyl)-chloromethyl]-2,4-difluoro-5-methylbenzene
CID 81476007
3-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432001

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene?
The IUPAC name of 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene (CID 62865699) is 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene.
What is the SMILES notation for 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene?
The canonical SMILES for 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene is COc1cc(F)c(C(Cl)c2ccc(C)c(F)c2)cc1OC.
What is the InChIKey of 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene?
The InChIKey is CZFJJICDHQQRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O2/c1-9-4-5-10(6-12(9)18)16(17)11-7-14(20-2)15(21-3)8-13(11)19/h4-8,16H,1-3H3.
What are the key properties of 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene?
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene has a molecular weight of 312.74 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene is sourced from PubChem (CID 62865699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).