(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C15H18ClNO3 — CID 90648268

IUPAC(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(Cl)cc1O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C15H18ClNO3/c16-11-3-4-12(13(18)9-11)14(19)17-7-8-20-15(10-17)5-1-2-6-15/h3-4,9,18H,1-2,5-8,10H2
InChIKeyAHOGWQHWFXVWJY-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.83
Rot. Bonds1

About (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 90648268) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID90648268
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(Cl)cc1O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C15H18ClNO3/c16-11-3-4-12(13(18)9-11)14(19)17-7-8-20-15(10-17)5-1-2-6-15/h3-4,9,18H,1-2,5-8,10H2
InChIKeyAHOGWQHWFXVWJY-UHFFFAOYSA-N
XLogP2.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 90648268) is (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is O=C(c1ccc(Cl)cc1O)N1CCOC2(CCCC2)C1.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is AHOGWQHWFXVWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-11-3-4-12(13(18)9-11)14(19)17-7-8-20-15(10-17)5-1-2-6-15/h3-4,9,18H,1-2,5-8,10H2.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 295.77 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 90648268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).