(3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C18H24ClNO4 — CID 135120395

IUPAC(3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1cc(Cl)cc(C(=O)N2CCC3(CC2)CC(C)(O)CCO3)c1
InChIInChI=1S/C18H24ClNO4/c1-17(22)5-8-24-18(12-17)3-6-20(7-4-18)16(21)13-9-14(19)11-15(10-13)23-2/h9-11,22H,3-8,12H2,1-2H3
InChIKeyMGEURFPHGKFSKR-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.88
Rot. Bonds2

About (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 135120395) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID135120395
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name(3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1cc(Cl)cc(C(=O)N2CCC3(CC2)CC(C)(O)CCO3)c1
InChIInChI=1S/C18H24ClNO4/c1-17(22)5-8-24-18(12-17)3-6-20(7-4-18)16(21)13-9-14(19)11-15(10-13)23-2/h9-11,22H,3-8,12H2,1-2H3
InChIKeyMGEURFPHGKFSKR-UHFFFAOYSA-N
XLogP2.88
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-pyrrole-3-carbonitrile
CID 135089310
9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135090543
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 135094324
(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
CID 50955951
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
CID 164690307
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341
2-(3,4-dimethylphenoxy)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 135103708
(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 81091094
2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72880026
(5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97128167
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135110690
(3-chloro-5-methoxyphenyl)-[4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134708918

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 135120395) is (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is COc1cc(Cl)cc(C(=O)N2CCC3(CC2)CC(C)(O)CCO3)c1.
What is the InChIKey of (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is MGEURFPHGKFSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4/c1-17(22)5-8-24-18(12-17)3-6-20(7-4-18)16(21)13-9-14(19)11-15(10-13)23-2/h9-11,22H,3-8,12H2,1-2H3.
What are the key properties of (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 353.85 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 135120395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).