2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol

C23H26ClNO4 — CID 110222646

IUPAC2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)c(OC)c1
InChIInChI=1S/C23H26ClNO4/c1-27-18-4-5-19(22(14-18)28-2)20(26)15-25-11-9-23(10-12-25)8-7-16-13-17(24)3-6-21(16)29-23/h3-8,13-14,20,26H,9-12,15H2,1-2H3
InChIKeyRCBAOEAMUBQNLF-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.33
Rot. Bonds5

About 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol

2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol (PubChem CID 110222646) has the molecular formula C23H26ClNO4 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol
PubChem CID110222646
Molecular FormulaC23H26ClNO4
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Name2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)c(OC)c1
InChIInChI=1S/C23H26ClNO4/c1-27-18-4-5-19(22(14-18)28-2)20(26)15-25-11-9-23(10-12-25)8-7-16-13-17(24)3-6-21(16)29-23/h3-8,13-14,20,26H,9-12,15H2,1-2H3
InChIKeyRCBAOEAMUBQNLF-UHFFFAOYSA-N
XLogP4.33
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047044
2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046694
2-(4-benzhydrylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 10071478
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 23362116
6-chloro-1'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46966086
2,2-bis(4-chlorophenyl)-N-[(1S)-1-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
CID 67674197
(4R)-1'-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503554
1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
CID 82215428
(1R)-2-[4-[(3-chloro-8-methoxy-5,5-dioxobenzo[c][5,1,2]benzoxathiazepin-6-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanol
CID 67656733
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
2-(6-ethylspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046764
7-methoxyspiro[chromene-2,1'-cycloheptane]
CID 15081060

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol (CID 110222646) is 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol is COc1ccc(C(O)CN2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)c(OC)c1.
What is the InChIKey of 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol?
The InChIKey is RCBAOEAMUBQNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO4/c1-27-18-4-5-19(22(14-18)28-2)20(26)15-25-11-9-23(10-12-25)8-7-16-13-17(24)3-6-21(16)29-23/h3-8,13-14,20,26H,9-12,15H2,1-2H3.
What are the key properties of 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol?
2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol has a molecular weight of 415.92 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 110222646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).