(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol

C13H19NO2 — CID 78941068

IUPAC(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCCOCC2)cc1
InChIInChI=1S/C13H19NO2/c1-11(15)12-3-5-13(6-4-12)14-7-2-9-16-10-8-14/h3-6,11,15H,2,7-10H2,1H3/t11-/m1/s1
InChIKeyHDBKEECTIARQET-LLVKDONJSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds2

About (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol

(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol (PubChem CID 78941068) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
PubChem CID78941068
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCCOCC2)cc1
InChIInChI=1S/C13H19NO2/c1-11(15)12-3-5-13(6-4-12)14-7-2-9-16-10-8-14/h3-6,11,15H,2,7-10H2,1H3/t11-/m1/s1
InChIKeyHDBKEECTIARQET-LLVKDONJSA-N
XLogP1.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064
1-[4-(1,4-thiazepan-4-yl)phenyl]ethanol
CID 61419671
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
propan-2-ol;4-(6-propan-2-yl-3-pyridinyl)-1,4-oxazepane
CID 172575814
(1S)-1-[4-(4-propan-2-ylazepan-1-yl)phenyl]ethanol
CID 78992796
1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
CID 137407146
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
1-[4-(2-methylmorpholin-4-yl)phenyl]ethanol
CID 43505918
4-(4-iodophenyl)-1,4-oxazepane
CID 121246914
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 124563582

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol (CID 78941068) is (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol is C[C@@H](O)c1ccc(N2CCCOCC2)cc1.
What is the InChIKey of (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol?
The InChIKey is HDBKEECTIARQET-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(15)12-3-5-13(6-4-12)14-7-2-9-16-10-8-14/h3-6,11,15H,2,7-10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol?
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol is sourced from PubChem (CID 78941068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).