(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol

C14H20FNO2 — CID 63371801

IUPAC(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
SMILESCC1CN(c2ccc(F)cc2[C@@H](C)O)CCCO1
InChIInChI=1S/C14H20FNO2/c1-10-9-16(6-3-7-18-10)14-5-4-12(15)8-13(14)11(2)17/h4-5,8,10-11,17H,3,6-7,9H2,1-2H3/t10?,11-/m1/s1
InChIKeyHJQNDELMAHEPBY-RRKGBCIJSA-N
MW253.32 g/mol
LogP2.49
Rot. Bonds2

About (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol

(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol (PubChem CID 63371801) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
PubChem CID63371801
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
SMILESCC1CN(c2ccc(F)cc2[C@@H](C)O)CCCO1
InChIInChI=1S/C14H20FNO2/c1-10-9-16(6-3-7-18-10)14-5-4-12(15)8-13(14)11(2)17/h4-5,8,10-11,17H,3,6-7,9H2,1-2H3/t10?,11-/m1/s1
InChIKeyHJQNDELMAHEPBY-RRKGBCIJSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 78939196
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994
(1S)-1-[3-bromo-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941089
1-[3-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 114059166
1-[5-fluoro-2-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227955
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
CID 55216386
(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 78939384
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
N-[[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62972720
[3-fluoro-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 62972334
(1R)-1-[2-[4-(dimethylamino)piperidin-1-yl]-5-fluorophenyl]ethanol
CID 55184659
1-[4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-1-yl]ethanone
CID 78940715

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol (CID 63371801) is (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol is CC1CN(c2ccc(F)cc2[C@@H](C)O)CCCO1.
What is the InChIKey of (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol?
The InChIKey is HJQNDELMAHEPBY-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10-9-16(6-3-7-18-10)14-5-4-12(15)8-13(14)11(2)17/h4-5,8,10-11,17H,3,6-7,9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol?
(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol is sourced from PubChem (CID 63371801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).