3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde

C17H18O2 — CID 123229702

IUPAC3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde
SMILESCCc1cccc(COc2cc(C)cc(C=O)c2)c1
InChIInChI=1S/C17H18O2/c1-3-14-5-4-6-15(9-14)12-19-17-8-13(2)7-16(10-17)11-18/h4-11H,3,12H2,1-2H3
InChIKeyCFOACXRIWOBIEQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.95
Rot. Bonds5

About 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde

3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde (PubChem CID 123229702) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde
PubChem CID123229702
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde
SMILESCCc1cccc(COc2cc(C)cc(C=O)c2)c1
InChIInChI=1S/C17H18O2/c1-3-14-5-4-6-15(9-14)12-19-17-8-13(2)7-16(10-17)11-18/h4-11H,3,12H2,1-2H3
InChIKeyCFOACXRIWOBIEQ-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde
CID 122476290
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde
CID 144776762
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
3-(2-hydroxyethoxy)-5-methylbenzaldehyde
CID 170132633
1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
CID 164573942
3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde
CID 123674719
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
4-[(3-pentan-3-yloxyphenyl)methoxy]benzaldehyde
CID 87614650
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
CID 91655985

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde?
The IUPAC name of 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde (CID 123229702) is 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde?
The canonical SMILES for 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde is CCc1cccc(COc2cc(C)cc(C=O)c2)c1.
What is the InChIKey of 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde?
The InChIKey is CFOACXRIWOBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-14-5-4-6-15(9-14)12-19-17-8-13(2)7-16(10-17)11-18/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde?
3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 123229702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).