3-(3-chloro-4-morpholin-4-ylphenyl)butanal

C14H18ClNO2 — CID 117423190

IUPAC3-(3-chloro-4-morpholin-4-ylphenyl)butanal
SMILESCC(CC=O)c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-11(4-7-17)12-2-3-14(13(15)10-12)16-5-8-18-9-6-16/h2-3,7,10-11H,4-6,8-9H2,1H3
InChIKeyUGTLYWGVKBKHQJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.87
Rot. Bonds4

About 3-(3-chloro-4-morpholin-4-ylphenyl)butanal

3-(3-chloro-4-morpholin-4-ylphenyl)butanal (PubChem CID 117423190) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(3-chloro-4-morpholin-4-ylphenyl)butanal.

Molecular Properties

Compound Name3-(3-chloro-4-morpholin-4-ylphenyl)butanal
PubChem CID117423190
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(3-chloro-4-morpholin-4-ylphenyl)butanal
SMILESCC(CC=O)c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-11(4-7-17)12-2-3-14(13(15)10-12)16-5-8-18-9-6-16/h2-3,7,10-11H,4-6,8-9H2,1H3
InChIKeyUGTLYWGVKBKHQJ-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-2-morpholin-4-ylphenyl)butanal
CID 117107597
3-(2-morpholin-4-ylphenyl)butanal
CID 117338487
3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]butanal
CID 117415586
3-(3-chloro-4-hydroxyphenyl)butanal
CID 117288100
3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
CID 117384370
3-(3-chloro-4-propan-2-ylsulfanylphenyl)butanal
CID 117395497
3-[3-chloro-4-(dimethylamino)phenyl]butanal
CID 117324464
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
3-[3-chloro-4-(cyclopropylmethoxy)phenyl]butanal
CID 117384856
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 19631195
1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one
CID 154126949

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)butanal?
The IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)butanal (CID 117423190) is 3-(3-chloro-4-morpholin-4-ylphenyl)butanal.
What is the SMILES notation for 3-(3-chloro-4-morpholin-4-ylphenyl)butanal?
The canonical SMILES for 3-(3-chloro-4-morpholin-4-ylphenyl)butanal is CC(CC=O)c1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-morpholin-4-ylphenyl)butanal?
The InChIKey is UGTLYWGVKBKHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-11(4-7-17)12-2-3-14(13(15)10-12)16-5-8-18-9-6-16/h2-3,7,10-11H,4-6,8-9H2,1H3.
What are the key properties of 3-(3-chloro-4-morpholin-4-ylphenyl)butanal?
3-(3-chloro-4-morpholin-4-ylphenyl)butanal has a molecular weight of 267.76 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-morpholin-4-ylphenyl)butanal is sourced from PubChem (CID 117423190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).