1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene

C15H14ClFO — CID 107888345

IUPAC1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
SMILESCCc1cccc(OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFO/c1-2-11-4-3-5-13(8-11)18-10-12-6-7-14(16)15(17)9-12/h3-9H,2,10H2,1H3
InChIKeyNBHJOSIGTVAPIE-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.62
Rot. Bonds4

About 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene

1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene (PubChem CID 107888345) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
PubChem CID107888345
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
SMILESCCc1cccc(OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFO/c1-2-11-4-3-5-13(8-11)18-10-12-6-7-14(16)15(17)9-12/h3-9H,2,10H2,1H3
InChIKeyNBHJOSIGTVAPIE-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
1-chloro-4-[(3-ethylphenoxy)methyl]-2-nitrobenzene
CID 43350457
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
CID 107888358
N-[[3-[(4-chloro-3-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 82727587
1-ethyl-3-[(4-propan-2-ylphenyl)methoxy]benzene
CID 60644477
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
N-[[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 103037800

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene (CID 107888345) is 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene is CCc1cccc(OCc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene?
The InChIKey is NBHJOSIGTVAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-2-11-4-3-5-13(8-11)18-10-12-6-7-14(16)15(17)9-12/h3-9H,2,10H2,1H3.
What are the key properties of 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene?
1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene has a molecular weight of 264.73 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene is sourced from PubChem (CID 107888345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).