methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde

C14H21NO4 — CID 143409868

IUPACmethanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
SMILESCO.COc1cc(C=O)ccc1CN1CCOCC1
InChIInChI=1S/C13H17NO3.CH4O/c1-16-13-8-11(10-15)2-3-12(13)9-14-4-6-17-7-5-14;1-2/h2-3,8,10H,4-7,9H2,1H3;2H,1H3
InChIKeyBBEXIIRXNLUDRE-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.95
Rot. Bonds4

About methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde

methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde (PubChem CID 143409868) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde.

Molecular Properties

Compound Namemethanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
PubChem CID143409868
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
SMILESCO.COc1cc(C=O)ccc1CN1CCOCC1
InChIInChI=1S/C13H17NO3.CH4O/c1-16-13-8-11(10-15)2-3-12(13)9-14-4-6-17-7-5-14;1-2/h2-3,8,10H,4-7,9H2,1H3;2H,1H3
InChIKeyBBEXIIRXNLUDRE-UHFFFAOYSA-N
XLogP0.95
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
CID 163990901
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
7,13-bis[(2-methoxy-4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 72950986
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206
[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone
CID 70063959
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
CID 171985779
2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
CID 58662167
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646
4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 62018518
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270

Frequently Asked Questions

What is the IUPAC name of methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde?
The IUPAC name of methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde (CID 143409868) is methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde.
What is the SMILES notation for methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde?
The canonical SMILES for methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde is CO.COc1cc(C=O)ccc1CN1CCOCC1.
What is the InChIKey of methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde?
The InChIKey is BBEXIIRXNLUDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.CH4O/c1-16-13-8-11(10-15)2-3-12(13)9-14-4-6-17-7-5-14;1-2/h2-3,8,10H,4-7,9H2,1H3;2H,1H3.
What are the key properties of methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde?
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde has a molecular weight of 267.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde is sourced from PubChem (CID 143409868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).