4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one

C12H13NO3 — CID 105473654

IUPAC4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one
SMILESO=C1OCCC2(CC2)N1c1ccc(O)cc1
InChIInChI=1S/C12H13NO3/c14-10-3-1-9(2-4-10)13-11(15)16-8-7-12(13)5-6-12/h1-4,14H,5-8H2
InChIKeyKXRPPAINTLRXQP-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.27
Rot. Bonds1

About 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one

4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one (PubChem CID 105473654) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one
PubChem CID105473654
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one
SMILESO=C1OCCC2(CC2)N1c1ccc(O)cc1
InChIInChI=1S/C12H13NO3/c14-10-3-1-9(2-4-10)13-11(15)16-8-7-12(13)5-6-12/h1-4,14H,5-8H2
InChIKeyKXRPPAINTLRXQP-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 2430972
ethyl N-(4-hydroxyphenyl)carbamate
CID 602288
4-(4-Hydroxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 11687740
3-(4-Hydroxyphenyl)-1,3-oxazolidin-2-one
CID 23145678
tert-butyl N-(4-hydroxyphenyl)-N-methylcarbamate
CID 54592515
Carbamic acid, (4-hydroxyphenyl)-, 1-methylethyl ester
CID 94802
Tert-butyl-(3-fluoro-4-hydroxyphenyl)carbamic acid
CID 66968810
(3-Fluorophenyl)-(4-hydroxyphenyl)carbamic acid
CID 69141439
tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate
CID 87378206
5-Ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one
CID 146439381
methyl N-(4-hydroxyphenyl)-N-methylcarbamate
CID 9812929
tert-butyl N-(4-hydroxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135005877

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one?
The IUPAC name of 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one (CID 105473654) is 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one is O=C1OCCC2(CC2)N1c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one?
The InChIKey is KXRPPAINTLRXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-10-3-1-9(2-4-10)13-11(15)16-8-7-12(13)5-6-12/h1-4,14H,5-8H2.
What are the key properties of 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one?
4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one has a molecular weight of 219.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-6-oxa-4-azaspiro[2.5]octan-5-one is sourced from PubChem (CID 105473654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).