2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol

C14H12Cl2FNO2 — CID 83454430

IUPAC2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1O
InChIInChI=1S/C14H12Cl2FNO2/c1-20-13-5-8(4-11(16)14(13)19)7-18-9-2-3-12(17)10(15)6-9/h2-6,18-19H,7H2,1H3
InChIKeyAVOLFDSMTAUQBZ-UHFFFAOYSA-N
MW316.16 g/mol
LogP4.46
Rot. Bonds4

About 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol

2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol (PubChem CID 83454430) has the molecular formula C14H12Cl2FNO2 and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol
PubChem CID83454430
Molecular FormulaC14H12Cl2FNO2
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1O
InChIInChI=1S/C14H12Cl2FNO2/c1-20-13-5-8(4-11(16)14(13)19)7-18-9-2-3-12(17)10(15)6-9/h2-6,18-19H,7H2,1H3
InChIKeyAVOLFDSMTAUQBZ-UHFFFAOYSA-N
XLogP4.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
CID 28615702
2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525668
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol
CID 126119272
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxy-4-nitroaniline
CID 63670149
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-3-chloro-4-fluoroaniline
CID 1378381
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 62316969
4-[(3,5-dichloro-4-fluoroanilino)methyl]-2-methoxyphenol
CID 107572501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol (CID 83454430) is 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol is COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol?
The InChIKey is AVOLFDSMTAUQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2/c1-20-13-5-8(4-11(16)14(13)19)7-18-9-2-3-12(17)10(15)6-9/h2-6,18-19H,7H2,1H3.
What are the key properties of 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol?
2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol has a molecular weight of 316.16 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 83454430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).