4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde

C14H15NO3 — CID 141375491

IUPAC4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde
SMILESCOc1ccc(C=O)cc1OCCn1cccc1
InChIInChI=1S/C14H15NO3/c1-17-13-5-4-12(11-16)10-14(13)18-9-8-15-6-2-3-7-15/h2-7,10-11H,8-9H2,1H3
InChIKeyZGHWTFYIRSPWRO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.39
Rot. Bonds6

About 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde

4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde (PubChem CID 141375491) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde
PubChem CID141375491
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde
SMILESCOc1ccc(C=O)cc1OCCn1cccc1
InChIInChI=1S/C14H15NO3/c1-17-13-5-4-12(11-16)10-14(13)18-9-8-15-6-2-3-7-15/h2-7,10-11H,8-9H2,1H3
InChIKeyZGHWTFYIRSPWRO-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-(2-methoxyphenoxy)ethyl]pyrrole
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4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 114528014
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[2-(2,5-dihydroxypyrrol-1-yl)ethoxy]-3-methoxybenzaldehyde
CID 123971235
4-methoxy-3-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 102974983
3-hept-6-enoxy-4-methoxybenzaldehyde
CID 107007313
4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-methoxybenzaldehyde
CID 99991929
3-methoxy-4-[3-(4-pyrrol-1-ylphenoxy)propoxy]benzaldehyde
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4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde?
The IUPAC name of 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde (CID 141375491) is 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde is COc1ccc(C=O)cc1OCCn1cccc1.
What is the InChIKey of 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde?
The InChIKey is ZGHWTFYIRSPWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-13-5-4-12(11-16)10-14(13)18-9-8-15-6-2-3-7-15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde?
4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde has a molecular weight of 245.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 141375491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).