1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene

C15H14BrFO2 — CID 11438746

IUPAC1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene
SMILESFc1cc(Oc2ccccc2)ccc1OCCCBr
InChIInChI=1S/C15H14BrFO2/c16-9-4-10-18-15-8-7-13(11-14(15)17)19-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2
InChIKeySXTCSGLAMVBFED-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.78
Rot. Bonds6

About 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene

1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene (PubChem CID 11438746) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene.

Molecular Properties

Compound Name1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene
PubChem CID11438746
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene
SMILESFc1cc(Oc2ccccc2)ccc1OCCCBr
InChIInChI=1S/C15H14BrFO2/c16-9-4-10-18-15-8-7-13(11-14(15)17)19-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2
InChIKeySXTCSGLAMVBFED-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
CID 143961012
1-(3-bromopropoxy)-2,4,5-trifluorobenzene
CID 10890898
1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene
CID 139615693
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
CID 107690963
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
4-(9-bromononoxy)-3-fluorobenzonitrile
CID 107670352
4-ethynoxy-2-fluoro-1-phenoxybenzene
CID 70469154
1-(4-bromobutoxy)-2-fluorobenzene;1,4-dibromobutane;2-fluorophenol
CID 161283859
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene?
The IUPAC name of 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene (CID 11438746) is 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene.
What is the SMILES notation for 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene?
The canonical SMILES for 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene is Fc1cc(Oc2ccccc2)ccc1OCCCBr.
What is the InChIKey of 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene?
The InChIKey is SXTCSGLAMVBFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c16-9-4-10-18-15-8-7-13(11-14(15)17)19-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2.
What are the key properties of 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene?
1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene has a molecular weight of 325.18 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene is sourced from PubChem (CID 11438746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).