4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene

C15H14BrFO2 — CID 60627290

IUPAC4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
SMILESCCOc1ccc(OCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H14BrFO2/c1-2-18-13-5-7-14(8-6-13)19-10-11-3-4-12(16)9-15(11)17/h3-9H,2,10H2,1H3
InChIKeyRVBMFMPBTRDKJC-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.57
Rot. Bonds5

About 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene

4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene (PubChem CID 60627290) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
PubChem CID60627290
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
SMILESCCOc1ccc(OCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H14BrFO2/c1-2-18-13-5-7-14(8-6-13)19-10-11-3-4-12(16)9-15(11)17/h3-9H,2,10H2,1H3
InChIKeyRVBMFMPBTRDKJC-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
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CID 63531797
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
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1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine
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3-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
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CID 55200086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene (CID 60627290) is 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene is CCOc1ccc(OCc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene?
The InChIKey is RVBMFMPBTRDKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-2-18-13-5-7-14(8-6-13)19-10-11-3-4-12(16)9-15(11)17/h3-9H,2,10H2,1H3.
What are the key properties of 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene?
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene has a molecular weight of 325.18 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene is sourced from PubChem (CID 60627290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).