acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol

C19H29NO5 — CID 88753284

IUPACacetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol
SMILESCC=O.COc1ccc(CO[C@@H]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1
InChIInChI=1S/C17H25NO4.C2H4O/c1-20-14-4-2-13(3-5-14)12-22-15-10-16(17(19)11-15)18-6-8-21-9-7-18;1-2-3/h2-5,15-17,19H,6-12H2,1H3;2H,1H3/t15-,16-,17-;/m0./s1
InChIKeyCJAXWJIOMZWDNB-FRKSIBALSA-N
MW351.44 g/mol
LogP1.64
Rot. Bonds5

About acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol

acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol (PubChem CID 88753284) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol.

Molecular Properties

Compound Nameacetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol
PubChem CID88753284
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Nameacetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol
SMILESCC=O.COc1ccc(CO[C@@H]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1
InChIInChI=1S/C17H25NO4.C2H4O/c1-20-14-4-2-13(3-5-14)12-22-15-10-16(17(19)11-15)18-6-8-21-9-7-18;1-2-3/h2-5,15-17,19H,6-12H2,1H3;2H,1H3/t15-,16-,17-;/m0./s1
InChIKeyCJAXWJIOMZWDNB-FRKSIBALSA-N
XLogP1.64
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,4S)-4-[[4-(4-methoxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentan-1-ol
CID 88689363
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentyl]hept-4-enoic acid
CID 70548536
6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one
CID 12786304
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
(2S,4R,6S)-4-[(4-methoxyphenyl)methoxy]-6-phenyloxane-2-carbaldehyde
CID 44517861
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
CID 125472318
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(prop-2-enoxy)cyclohexane-1,2-diol
CID 10502229

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol?
The IUPAC name of acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol (CID 88753284) is acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol.
What is the SMILES notation for acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol?
The canonical SMILES for acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol is CC=O.COc1ccc(CO[C@@H]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1.
What is the InChIKey of acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol?
The InChIKey is CJAXWJIOMZWDNB-FRKSIBALSA-N. The full InChI is InChI=1S/C17H25NO4.C2H4O/c1-20-14-4-2-13(3-5-14)12-22-15-10-16(17(19)11-15)18-6-8-21-9-7-18;1-2-3/h2-5,15-17,19H,6-12H2,1H3;2H,1H3/t15-,16-,17-;/m0./s1.
What are the key properties of acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol?
acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol has a molecular weight of 351.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol is sourced from PubChem (CID 88753284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).