4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol

C17H18BrFO2 — CID 79698405

IUPAC4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C17H18BrFO2/c1-12(20)2-3-13-4-6-17(7-5-13)21-11-14-8-15(18)10-16(19)9-14/h4-10,12,20H,2-3,11H2,1H3
InChIKeyVYZZRRDYWUYBID-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.48
Rot. Bonds6

About 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol

4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol (PubChem CID 79698405) has the molecular formula C17H18BrFO2 and a molecular weight of 353.23 g/mol. Its IUPAC name is 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol
PubChem CID79698405
Molecular FormulaC17H18BrFO2
Molecular Weight353.23 g/mol
Exact Mass352.05
IUPAC Name4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C17H18BrFO2/c1-12(20)2-3-13-4-6-17(7-5-13)21-11-14-8-15(18)10-16(19)9-14/h4-10,12,20H,2-3,11H2,1H3
InChIKeyVYZZRRDYWUYBID-UHFFFAOYSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
4-[(3-bromo-5-fluorophenyl)methoxy]-N-methylaniline
CID 79708992
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 79700300
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 79697854
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003210
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 66425822
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol?
The IUPAC name of 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol (CID 79698405) is 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol?
The canonical SMILES for 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol is CC(O)CCc1ccc(OCc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol?
The InChIKey is VYZZRRDYWUYBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO2/c1-12(20)2-3-13-4-6-17(7-5-13)21-11-14-8-15(18)10-16(19)9-14/h4-10,12,20H,2-3,11H2,1H3.
What are the key properties of 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol?
4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol has a molecular weight of 353.23 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol is sourced from PubChem (CID 79698405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).