4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde

C18H20O3 — CID 87616141

IUPAC4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde
SMILESCC(C)COc1ccccc1COc1ccc(C=O)cc1
InChIInChI=1S/C18H20O3/c1-14(2)12-21-18-6-4-3-5-16(18)13-20-17-9-7-15(11-19)8-10-17/h3-11,14H,12-13H2,1-2H3
InChIKeyDQQSMBFRNAQMAD-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.11
Rot. Bonds7

About 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde

4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde (PubChem CID 87616141) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde
PubChem CID87616141
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde
SMILESCC(C)COc1ccccc1COc1ccc(C=O)cc1
InChIInChI=1S/C18H20O3/c1-14(2)12-21-18-6-4-3-5-16(18)13-20-17-9-7-15(11-19)8-10-17/h3-11,14H,12-13H2,1-2H3
InChIKeyDQQSMBFRNAQMAD-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.11
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

4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
4-[(2-iodophenyl)methoxy]benzaldehyde
CID 162393344
4-[[4-(2-methylpropanoyl)phenyl]methoxy]benzaldehyde
CID 87614640
2-methylpropyl 4-[(5-formyl-2-methoxyphenyl)methoxy]benzoate
CID 50742455
1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417
(2-formylphenyl) 4-(2-methylpropoxy)benzoate
CID 23011622
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde?
The IUPAC name of 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde (CID 87616141) is 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde is CC(C)COc1ccccc1COc1ccc(C=O)cc1.
What is the InChIKey of 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde?
The InChIKey is DQQSMBFRNAQMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-14(2)12-21-18-6-4-3-5-16(18)13-20-17-9-7-15(11-19)8-10-17/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde?
4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde has a molecular weight of 284.36 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 87616141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).