1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene

C21H18ClFO3 — CID 91038963

IUPAC1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene
SMILESCOc1cc(OC)c(-c2ccc(Cl)cc2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C21H18ClFO3/c1-24-19-12-20(25-2)21(26-13-14-3-9-17(23)10-4-14)11-18(19)15-5-7-16(22)8-6-15/h3-12H,13H2,1-2H3
InChIKeyVPDPSIDGSBJNOF-UHFFFAOYSA-N
MW372.82 g/mol
LogP5.74
Rot. Bonds6

About 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene

1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene (PubChem CID 91038963) has the molecular formula C21H18ClFO3 and a molecular weight of 372.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene
PubChem CID91038963
Molecular FormulaC21H18ClFO3
Molecular Weight372.82 g/mol
Exact Mass372.09
IUPAC Name1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene
SMILESCOc1cc(OC)c(-c2ccc(Cl)cc2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C21H18ClFO3/c1-24-19-12-20(25-2)21(26-13-14-3-9-17(23)10-4-14)11-18(19)15-5-7-16(22)8-6-15/h3-12H,13H2,1-2H3
InChIKeyVPDPSIDGSBJNOF-UHFFFAOYSA-N
XLogP5.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.82
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292580
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
2-(4-chlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208437
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 66534407
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 94863352
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529446
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4716351
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene?
The IUPAC name of 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene (CID 91038963) is 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene?
The canonical SMILES for 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene is COc1cc(OC)c(-c2ccc(Cl)cc2)cc1OCc1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene?
The InChIKey is VPDPSIDGSBJNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFO3/c1-24-19-12-20(25-2)21(26-13-14-3-9-17(23)10-4-14)11-18(19)15-5-7-16(22)8-6-15/h3-12H,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene?
1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene has a molecular weight of 372.82 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene is sourced from PubChem (CID 91038963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).