5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde

C15H20ClNO4 — CID 104665518

IUPAC5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde
SMILESCCN1CCOC(COc2c(C=O)cc(Cl)cc2OC)C1
InChIInChI=1S/C15H20ClNO4/c1-3-17-4-5-20-13(8-17)10-21-15-11(9-18)6-12(16)7-14(15)19-2/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyCVUGPZMVWFPJGP-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.26
Rot. Bonds6

About 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde

5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde (PubChem CID 104665518) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde
PubChem CID104665518
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde
SMILESCCN1CCOC(COc2c(C=O)cc(Cl)cc2OC)C1
InChIInChI=1S/C15H20ClNO4/c1-3-17-4-5-20-13(8-17)10-21-15-11(9-18)6-12(16)7-14(15)19-2/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyCVUGPZMVWFPJGP-UHFFFAOYSA-N
XLogP2.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
CID 112611039
3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde
CID 79175397
2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611692
(E)-3-[5-chloro-3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 104666607
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline
CID 79164835
2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182378
3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]benzaldehyde
CID 79172323
5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde
CID 104665382
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 104665448
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde (CID 104665518) is 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde is CCN1CCOC(COc2c(C=O)cc(Cl)cc2OC)C1.
What is the InChIKey of 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde?
The InChIKey is CVUGPZMVWFPJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-3-17-4-5-20-13(8-17)10-21-15-11(9-18)6-12(16)7-14(15)19-2/h6-7,9,13H,3-5,8,10H2,1-2H3.
What are the key properties of 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde?
5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde has a molecular weight of 313.78 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 104665518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).