9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C18H25Cl2NO3 — CID 135090543

IUPAC9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCOc1c(Cl)cc(Cl)cc1CN1CCC2(CC1)CC(C)(O)CCO2
InChIInChI=1S/C18H25Cl2NO3/c1-17(22)5-8-24-18(12-17)3-6-21(7-4-18)11-13-9-14(19)10-15(20)16(13)23-2/h9-10,22H,3-8,11-12H2,1-2H3
InChIKeyYWWDNUADALTKDT-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.90
Rot. Bonds3

About 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 135090543) has the molecular formula C18H25Cl2NO3 and a molecular weight of 374.31 g/mol. Its IUPAC name is 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID135090543
Molecular FormulaC18H25Cl2NO3
Molecular Weight374.31 g/mol
Exact Mass373.12
IUPAC Name9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCOc1c(Cl)cc(Cl)cc1CN1CCC2(CC1)CC(C)(O)CCO2
InChIInChI=1S/C18H25Cl2NO3/c1-17(22)5-8-24-18(12-17)3-6-21(7-4-18)11-13-9-14(19)10-15(20)16(13)23-2/h9-10,22H,3-8,11-12H2,1-2H3
InChIKeyYWWDNUADALTKDT-UHFFFAOYSA-N
XLogP3.90
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol with MolForge

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Related Compounds

9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135091697
(3S,4R)-9-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 165427198
9-benzyl-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916082
2-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907677
9-[[2-(difluoromethoxy)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916360
4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135091088
(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155493220
9-[(5-chloro-2,3-dimethoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 74233749
9-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecane
CID 77084341
1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 75438342
1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 110022533
1-[(3S)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99936854

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 135090543) is 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is COc1c(Cl)cc(Cl)cc1CN1CCC2(CC1)CC(C)(O)CCO2.
What is the InChIKey of 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is YWWDNUADALTKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2NO3/c1-17(22)5-8-24-18(12-17)3-6-21(7-4-18)11-13-9-14(19)10-15(20)16(13)23-2/h9-10,22H,3-8,11-12H2,1-2H3.
What are the key properties of 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 374.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 135090543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).