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

C18H20BrFO2 — CID 171367389

IUPAC1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1c(Br)ccc(OCc2ccccc2)c1F
InChIInChI=1S/C18H20BrFO2/c1-2-3-9-15(21)17-14(19)10-11-16(18(17)20)22-12-13-7-5-4-6-8-13/h4-8,10-11,15,21H,2-3,9,12H2,1H3
InChIKeyYETZNQMWPDJZCO-UHFFFAOYSA-N
MW367.26 g/mol
LogP5.39
Rot. Bonds7

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

1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol (PubChem CID 171367389) has the molecular formula C18H20BrFO2 and a molecular weight of 367.26 g/mol. Its IUPAC name is 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol
PubChem CID171367389
Molecular FormulaC18H20BrFO2
Molecular Weight367.26 g/mol
Exact Mass366.06
IUPAC Name1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1c(Br)ccc(OCc2ccccc2)c1F
InChIInChI=1S/C18H20BrFO2/c1-2-3-9-15(21)17-14(19)10-11-16(18(17)20)22-12-13-7-5-4-6-8-13/h4-8,10-11,15,21H,2-3,9,12H2,1H3
InChIKeyYETZNQMWPDJZCO-UHFFFAOYSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.26
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol
CID 171367246
(6-bromo-2-fluoro-3-phenylmethoxyphenyl)-cyclopropylmethanol
CID 171366387
1-bromo-3-fluoro-2-(3-methylbut-1-ynyl)-4-phenylmethoxybenzene
CID 156877177
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
(1S)-1-(2-fluoro-3-phenylmethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 157198139
1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol
CID 117469072
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
1-(2-phenylmethoxynaphthalen-1-yl)propan-1-ol
CID 163598537
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol
CID 83952820

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol?
The IUPAC name of 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol (CID 171367389) is 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol.
What is the SMILES notation for 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol?
The canonical SMILES for 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol is CCCCC(O)c1c(Br)ccc(OCc2ccccc2)c1F.
What is the InChIKey of 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol?
The InChIKey is YETZNQMWPDJZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFO2/c1-2-3-9-15(21)17-14(19)10-11-16(18(17)20)22-12-13-7-5-4-6-8-13/h4-8,10-11,15,21H,2-3,9,12H2,1H3.
What are the key properties of 1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol?
1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)pentan-1-ol has a molecular weight of 367.26 g/mol, XLogP of 5.39, 7 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)pentan-1-ol is sourced from PubChem (CID 171367389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).