10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal

C37H49NO6 — CID 176754642

IUPAC10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal
SMILESCOc1ccc(C(OC[C@@H]2CN(CCCCCCCCCC=O)CC(CO)O2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C37H49NO6/c1-41-33-20-16-31(17-21-33)37(30-14-10-9-11-15-30,32-18-22-34(42-2)23-19-32)43-29-36-27-38(26-35(28-40)44-36)24-12-7-5-3-4-6-8-13-25-39/h9-11,14-23,25,35-36,40H,3-8,12-13,24,26-29H2,1-2H3/t35?,36-/m0/s1
InChIKeyHCFSOHVKALKTTC-UHBYFKDRSA-N
MW603.80 g/mol
LogP6.39
Rot. Bonds19

About 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal

10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal (PubChem CID 176754642) has the molecular formula C37H49NO6 and a molecular weight of 603.80 g/mol. Its IUPAC name is 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal.

Molecular Properties

Compound Name10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal
PubChem CID176754642
Molecular FormulaC37H49NO6
Molecular Weight603.80 g/mol
Exact Mass603.36
IUPAC Name10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal
SMILESCOc1ccc(C(OC[C@@H]2CN(CCCCCCCCCC=O)CC(CO)O2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C37H49NO6/c1-41-33-20-16-31(17-21-33)37(30-14-10-9-11-15-30,32-18-22-34(42-2)23-19-32)43-29-36-27-38(26-35(28-40)44-36)24-12-7-5-3-4-6-8-13-25-39/h9-11,14-23,25,35-36,40H,3-8,12-13,24,26-29H2,1-2H3/t35?,36-/m0/s1
InChIKeyHCFSOHVKALKTTC-UHBYFKDRSA-N
XLogP6.39
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.80
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

10-[(2S,6S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]-10-oxodecanoic acid
CID 176754703
10-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-10-oxodecanal
CID 176754653
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
CID 171805579
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol
CID 59408053
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
1-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]nonane-1,8-dione
CID 159837849
1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]nonane-1,8-dione
CID 157098843
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
4-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(6-hydroxyhexanoyl)pyrrolidin-3-yl]oxy-4-oxobutanoic acid
CID 145481231
2-[(3S)-1-(7-oxoheptyl)pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride
CID 87396933

Frequently Asked Questions

What is the IUPAC name of 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal?
The IUPAC name of 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal (CID 176754642) is 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal.
What is the SMILES notation for 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal?
The canonical SMILES for 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal is COc1ccc(C(OC[C@@H]2CN(CCCCCCCCCC=O)CC(CO)O2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal?
The InChIKey is HCFSOHVKALKTTC-UHBYFKDRSA-N. The full InChI is InChI=1S/C37H49NO6/c1-41-33-20-16-31(17-21-33)37(30-14-10-9-11-15-30,32-18-22-34(42-2)23-19-32)43-29-36-27-38(26-35(28-40)44-36)24-12-7-5-3-4-6-8-13-25-39/h9-11,14-23,25,35-36,40H,3-8,12-13,24,26-29H2,1-2H3/t35?,36-/m0/s1.
What are the key properties of 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal?
10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal has a molecular weight of 603.80 g/mol, XLogP of 6.39, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(hydroxymethyl)morpholin-4-yl]decanal is sourced from PubChem (CID 176754642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).