4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde

C13H16O4 — CID 148626263

IUPAC4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde
SMILESC=CC(C)Oc1c(OC)cc(C=O)cc1OC
InChIInChI=1S/C13H16O4/c1-5-9(2)17-13-11(15-3)6-10(8-14)7-12(13)16-4/h5-9H,1H2,2-4H3
InChIKeyNHGJVXRINHVFTM-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.47
Rot. Bonds6

About 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde

4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde (PubChem CID 148626263) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde
PubChem CID148626263
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde
SMILESC=CC(C)Oc1c(OC)cc(C=O)cc1OC
InChIInChI=1S/C13H16O4/c1-5-9(2)17-13-11(15-3)6-10(8-14)7-12(13)16-4/h5-9H,1H2,2-4H3
InChIKeyNHGJVXRINHVFTM-UHFFFAOYSA-N
XLogP2.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
CID 15410462
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoic acid
CID 4763755
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
CID 42573597
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
3-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethoxybenzaldehyde
CID 117376478
3-(4-but-3-en-2-yloxyphenyl)-5-hydroxybenzaldehyde
CID 123304118
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820

Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde?
The IUPAC name of 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde (CID 148626263) is 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde is C=CC(C)Oc1c(OC)cc(C=O)cc1OC.
What is the InChIKey of 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde?
The InChIKey is NHGJVXRINHVFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-5-9(2)17-13-11(15-3)6-10(8-14)7-12(13)16-4/h5-9H,1H2,2-4H3.
What are the key properties of 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde?
4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde has a molecular weight of 236.27 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 148626263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).