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

C15H14ClFO — CID 114860237

IUPAC4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
SMILESCCc1ccc(OCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H14ClFO/c1-2-11-3-7-14(8-4-11)18-10-12-5-6-13(16)9-15(12)17/h3-9H,2,10H2,1H3
InChIKeyDRKZNLILZQYUJM-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.62
Rot. Bonds4

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

4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene (PubChem CID 114860237) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
PubChem CID114860237
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
SMILESCCc1ccc(OCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H14ClFO/c1-2-11-3-7-14(8-4-11)18-10-12-5-6-13(16)9-15(12)17/h3-9H,2,10H2,1H3
InChIKeyDRKZNLILZQYUJM-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

N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847795
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanethioamide
CID 114849176
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 154798923
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 114849592
N'-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethane-1,2-diamine
CID 117097512
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene?
The IUPAC name of 4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene (CID 114860237) is 4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene is CCc1ccc(OCc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene?
The InChIKey is DRKZNLILZQYUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-2-11-3-7-14(8-4-11)18-10-12-5-6-13(16)9-15(12)17/h3-9H,2,10H2,1H3.
What are the key properties of 4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene?
4-chloro-1-[(4-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 4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene is sourced from PubChem (CID 114860237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).