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

C15H14ClFO — CID 60627358

IUPAC2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
SMILESCCc1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H14ClFO/c1-2-11-3-7-14(8-4-11)18-10-12-5-6-13(17)9-15(12)16/h3-9H,2,10H2,1H3
InChIKeyLWIMIXGOYCPCFF-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.62
Rot. Bonds4

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

2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene (PubChem CID 60627358) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
PubChem CID60627358
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
SMILESCCc1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H14ClFO/c1-2-11-3-7-14(8-4-11)18-10-12-5-6-13(17)9-15(12)16/h3-9H,2,10H2,1H3
InChIKeyLWIMIXGOYCPCFF-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-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863695
1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385678
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
(3S,5R)-N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 51989061

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene?
The IUPAC name of 2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene (CID 60627358) is 2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene?
The canonical SMILES for 2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene is CCc1ccc(OCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene?
The InChIKey is LWIMIXGOYCPCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-2-11-3-7-14(8-4-11)18-10-12-5-6-13(17)9-15(12)16/h3-9H,2,10H2,1H3.
What are the key properties of 2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene?
2-chloro-1-[(4-ethylphenoxy)methyl]-4-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 2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene is sourced from PubChem (CID 60627358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).