4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde

C14H18O4 — CID 153469234

IUPAC4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde
SMILESCCC(C)O/C=C\Oc1ccc(C=O)cc1OC
InChIInChI=1S/C14H18O4/c1-4-11(2)17-7-8-18-13-6-5-12(10-15)9-14(13)16-3/h5-11H,4H2,1-3H3/b8-7-
InChIKeyCTHAZUOYYUUAGA-FPLPWBNLSA-N
MW250.29 g/mol
LogP3.17
Rot. Bonds7

About 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde

4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde (PubChem CID 153469234) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde
PubChem CID153469234
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde
SMILESCCC(C)O/C=C\Oc1ccc(C=O)cc1OC
InChIInChI=1S/C14H18O4/c1-4-11(2)17-7-8-18-13-6-5-12(10-15)9-14(13)16-3/h5-11H,4H2,1-3H3/b8-7-
InChIKeyCTHAZUOYYUUAGA-FPLPWBNLSA-N
XLogP3.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-butan-2-yl]oxy-4-methoxybenzaldehyde
CID 28744661
3-methoxy-4-prop-1-enoxybenzaldehyde
CID 54295284
3-[(2S)-butan-2-yl]-4-methoxybenzaldehyde
CID 86324039
3-[(2R)-butan-2-yl]-4-methoxybenzaldehyde
CID 86324038
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
4-(3-hydroxypentoxy)-3-methoxybenzaldehyde
CID 174669406
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde
CID 117051953
(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
CID 135271655

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde (CID 153469234) is 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde is CCC(C)O/C=C\Oc1ccc(C=O)cc1OC.
What is the InChIKey of 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde?
The InChIKey is CTHAZUOYYUUAGA-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-11(2)17-7-8-18-13-6-5-12(10-15)9-14(13)16-3/h5-11H,4H2,1-3H3/b8-7-.
What are the key properties of 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde?
4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde has a molecular weight of 250.29 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-butan-2-yloxyethenoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 153469234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).