1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene

C13H9Cl2FO — CID 71651487

IUPAC1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H9Cl2FO/c14-10-4-5-12(15)13(7-10)17-8-9-2-1-3-11(16)6-9/h1-7H,8H2
InChIKeyQQNQOJJLINPFEA-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.71
Rot. Bonds3

About 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene

1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene (PubChem CID 71651487) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
PubChem CID71651487
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H9Cl2FO/c14-10-4-5-12(15)13(7-10)17-8-9-2-1-3-11(16)6-9/h1-7H,8H2
InChIKeyQQNQOJJLINPFEA-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-chloro-4-fluoro-2-phenylmethoxybenzene
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4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
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1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene
CID 78915283
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
(3R)-3-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazolidine
CID 166110225
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
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3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene?
The IUPAC name of 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene (CID 71651487) is 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene is Fc1cccc(COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene?
The InChIKey is QQNQOJJLINPFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c14-10-4-5-12(15)13(7-10)17-8-9-2-1-3-11(16)6-9/h1-7H,8H2.
What are the key properties of 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene?
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene has a molecular weight of 271.12 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 71651487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).