1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol

C16H16BrFO2 — CID 171367246

IUPAC1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol
SMILESCCC(O)c1c(Br)ccc(OCc2ccccc2)c1F
InChIInChI=1S/C16H16BrFO2/c1-2-13(19)15-12(17)8-9-14(16(15)18)20-10-11-6-4-3-5-7-11/h3-9,13,19H,2,10H2,1H3
InChIKeyOEPWFGFKGBEAHU-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.61
Rot. Bonds5

About 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol

1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol (PubChem CID 171367246) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol
PubChem CID171367246
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol
SMILESCCC(O)c1c(Br)ccc(OCc2ccccc2)c1F
InChIInChI=1S/C16H16BrFO2/c1-2-13(19)15-12(17)8-9-14(16(15)18)20-10-11-6-4-3-5-7-11/h3-9,13,19H,2,10H2,1H3
InChIKeyOEPWFGFKGBEAHU-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol
CID 171367389
(6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol
CID 171366387
1-(2-phenylmethoxynaphthalen-1-yl)propan-1-ol
CID 163598537
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
1-bromo-3-fluoro-2-(3-methylbut-1-ynyl)-4-phenylmethoxybenzene
CID 156877177
1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
CID 171367653
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
CID 118142400
(1R)-1-[2-[(4-bromophenyl)methoxy]phenyl]propan-1-ol
CID 55188606
1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol
CID 117469072
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol (CID 171367246) is 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol is CCC(O)c1c(Br)ccc(OCc2ccccc2)c1F.
What is the InChIKey of 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is OEPWFGFKGBEAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-2-13(19)15-12(17)8-9-14(16(15)18)20-10-11-6-4-3-5-7-11/h3-9,13,19H,2,10H2,1H3.
What are the key properties of 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol?
1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 339.20 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 171367246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).