2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde

C13H16O2 — CID 11333181

IUPAC2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde
SMILESC=CC(C)(C)c1ccc(OC)c(C=O)c1
InChIInChI=1S/C13H16O2/c1-5-13(2,3)11-6-7-12(15-4)10(8-11)9-14/h5-9H,1H2,2-4H3
InChIKeyVTKNKAFUXVVVPL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.97
Rot. Bonds4

About 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde

2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde (PubChem CID 11333181) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde
PubChem CID11333181
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde
SMILESC=CC(C)(C)c1ccc(OC)c(C=O)c1
InChIInChI=1S/C13H16O2/c1-5-13(2,3)11-6-7-12(15-4)10(8-11)9-14/h5-9H,1H2,2-4H3
InChIKeyVTKNKAFUXVVVPL-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene
CID 118362054
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
2-methoxy-5-(methylamino)benzaldehyde
CID 91654246
2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde
CID 174155559
N-tert-butyl-3-formyl-4-methoxybenzenesulfonamide
CID 22007151
5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde
CID 18677608
2,3-ditert-butyl-4-methoxybenzaldehyde
CID 174455576
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
3-formyl-4-methoxybenzenesulfinic acid
CID 138566967
3-formyl-4-methoxybenzamide
CID 23141386

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde (CID 11333181) is 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde is C=CC(C)(C)c1ccc(OC)c(C=O)c1.
What is the InChIKey of 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde?
The InChIKey is VTKNKAFUXVVVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-5-13(2,3)11-6-7-12(15-4)10(8-11)9-14/h5-9H,1H2,2-4H3.
What are the key properties of 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde?
2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde is sourced from PubChem (CID 11333181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).