4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde

C13H18O3 — CID 117051953

IUPAC4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde
SMILESCOc1ccc(C=O)cc1OC(C)C(C)C
InChIInChI=1S/C13H18O3/c1-9(2)10(3)16-13-7-11(8-14)5-6-12(13)15-4/h5-10H,1-4H3
InChIKeyHIGOSFOFIAZNAM-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.93
Rot. Bonds5

About 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde

4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde (PubChem CID 117051953) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde
PubChem CID117051953
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde
SMILESCOc1ccc(C=O)cc1OC(C)C(C)C
InChIInChI=1S/C13H18O3/c1-9(2)10(3)16-13-7-11(8-14)5-6-12(13)15-4/h5-10H,1-4H3
InChIKeyHIGOSFOFIAZNAM-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-butan-2-yl]oxy-4-methoxybenzaldehyde
CID 28744661
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 43086535
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
(5-formyl-2-methoxyphenoxy)boronic acid
CID 139979594
3-(1-aminoethyl)-4-methoxybenzaldehyde
CID 105438048
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085549

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde?
The IUPAC name of 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde (CID 117051953) is 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde is COc1ccc(C=O)cc1OC(C)C(C)C.
What is the InChIKey of 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde?
The InChIKey is HIGOSFOFIAZNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)10(3)16-13-7-11(8-14)5-6-12(13)15-4/h5-10H,1-4H3.
What are the key properties of 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde?
4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde has a molecular weight of 222.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde is sourced from PubChem (CID 117051953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).