2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde

C19H20O3 — CID 56605246

IUPAC2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
SMILESCC(C)=CCOc1cc(OCc2ccccc2)ccc1C=O
InChIInChI=1S/C19H20O3/c1-15(2)10-11-21-19-12-18(9-8-17(19)13-20)22-14-16-6-4-3-5-7-16/h3-10,12-13H,11,14H2,1-2H3
InChIKeyJTGUXPQSDIJWGH-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.42
Rot. Bonds7

About 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde

2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde (PubChem CID 56605246) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
PubChem CID56605246
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
SMILESCC(C)=CCOc1cc(OCc2ccccc2)ccc1C=O
InChIInChI=1S/C19H20O3/c1-15(2)10-11-21-19-12-18(9-8-17(19)13-20)22-14-16-6-4-3-5-7-16/h3-10,12-13H,11,14H2,1-2H3
InChIKeyJTGUXPQSDIJWGH-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
5-(3-methylbut-2-enoxy)-2-phenyl-7-phenylmethoxychromen-4-one
CID 169002909
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904
2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
CID 150506758
4-formyl-3-(3-methylbut-2-enoxy)benzonitrile
CID 101239651
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde
CID 113235685
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
CID 52916293

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde (CID 56605246) is 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde is CC(C)=CCOc1cc(OCc2ccccc2)ccc1C=O.
What is the InChIKey of 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde?
The InChIKey is JTGUXPQSDIJWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-15(2)10-11-21-19-12-18(9-8-17(19)13-20)22-14-16-6-4-3-5-7-16/h3-10,12-13H,11,14H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde?
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde has a molecular weight of 296.37 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 56605246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).