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

C15H14ClFO — CID 102620565

IUPAC1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
SMILESCCc1ccc(OCc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C15H14ClFO/c1-2-11-3-6-14(7-4-11)18-10-12-9-13(17)5-8-15(12)16/h3-9H,2,10H2,1H3
InChIKeyMHLDWDVRKVGKAW-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.62
Rot. Bonds4

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

1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene (PubChem CID 102620565) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
PubChem CID102620565
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
SMILESCCc1ccc(OCc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C15H14ClFO/c1-2-11-3-6-14(7-4-11)18-10-12-9-13(17)5-8-15(12)16/h3-9H,2,10H2,1H3
InChIKeyMHLDWDVRKVGKAW-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

2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
CID 102616175
4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
CID 102619550
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
4-fluoro-2-[(4-propylphenoxy)methyl]aniline
CID 62548026

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene?
The IUPAC name of 1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene (CID 102620565) is 1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene?
The canonical SMILES for 1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene is CCc1ccc(OCc2cc(F)ccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene?
The InChIKey is MHLDWDVRKVGKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-2-11-3-6-14(7-4-11)18-10-12-9-13(17)5-8-15(12)16/h3-9H,2,10H2,1H3.
What are the key properties of 1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene?
1-chloro-2-[(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 1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene is sourced from PubChem (CID 102620565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).