4-(1,3-oxazepan-3-yl)phenol

C11H15NO2 — CID 175084145

IUPAC4-(1,3-oxazepan-3-yl)phenol
SMILESOc1ccc(N2CCCCOC2)cc1
InChIInChI=1S/C11H15NO2/c13-11-5-3-10(4-6-11)12-7-1-2-8-14-9-12/h3-6,13H,1-2,7-9H2
InChIKeyMABBWQXFIPOOQN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.97
Rot. Bonds1

About 4-(1,3-oxazepan-3-yl)phenol

4-(1,3-oxazepan-3-yl)phenol (PubChem CID 175084145) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(1,3-oxazepan-3-yl)phenol.

Molecular Properties

Compound Name4-(1,3-oxazepan-3-yl)phenol
PubChem CID175084145
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(1,3-oxazepan-3-yl)phenol
SMILESOc1ccc(N2CCCCOC2)cc1
InChIInChI=1S/C11H15NO2/c13-11-5-3-10(4-6-11)12-7-1-2-8-14-9-12/h3-6,13H,1-2,7-9H2
InChIKeyMABBWQXFIPOOQN-UHFFFAOYSA-N
XLogP1.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
3-(4-bromophenyl)-1,3-oxazolidine
CID 150695273
4-(4-phosphanylpiperazin-1-yl)phenol
CID 129203911
3-phenyl-1,3-oxazolidine
CID 519787
4-[3,5-bis(4-hydroxyphenyl)-1,3,5-triazinan-1-yl]phenol
CID 130393627
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-(3,3-dimethylpiperidin-1-yl)phenol
CID 11217983
4-(4-iodophenyl)-1,4-oxazepane
CID 121246914
9-[4-[[4-[[4-(1,3-oxazinan-3-yl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]nonyl butanoate
CID 157055188
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
4-(1,5,3-dithiazocan-3-yl)phenol
CID 146020778
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazepan-3-yl)phenol?
The IUPAC name of 4-(1,3-oxazepan-3-yl)phenol (CID 175084145) is 4-(1,3-oxazepan-3-yl)phenol.
What is the SMILES notation for 4-(1,3-oxazepan-3-yl)phenol?
The canonical SMILES for 4-(1,3-oxazepan-3-yl)phenol is Oc1ccc(N2CCCCOC2)cc1.
What is the InChIKey of 4-(1,3-oxazepan-3-yl)phenol?
The InChIKey is MABBWQXFIPOOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11-5-3-10(4-6-11)12-7-1-2-8-14-9-12/h3-6,13H,1-2,7-9H2.
What are the key properties of 4-(1,3-oxazepan-3-yl)phenol?
4-(1,3-oxazepan-3-yl)phenol has a molecular weight of 193.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazepan-3-yl)phenol is sourced from PubChem (CID 175084145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).