2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde

C17H18O2 — CID 112610948

IUPAC2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde
SMILESCc1cc(C)cc(COc2c(C)cccc2C=O)c1
InChIInChI=1S/C17H18O2/c1-12-7-13(2)9-15(8-12)11-19-17-14(3)5-4-6-16(17)10-18/h4-10H,11H2,1-3H3
InChIKeyMWXOFABPBYJJSQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.00
Rot. Bonds4

About 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde

2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde (PubChem CID 112610948) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde
PubChem CID112610948
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde
SMILESCc1cc(C)cc(COc2c(C)cccc2C=O)c1
InChIInChI=1S/C17H18O2/c1-12-7-13(2)9-15(8-12)11-19-17-14(3)5-4-6-16(17)10-18/h4-10H,11H2,1-3H3
InChIKeyMWXOFABPBYJJSQ-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.00
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-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 115955486
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
2-[(4-bromothiophen-2-yl)methoxy]-3-methylbenzaldehyde
CID 112610932
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611134
3-methyl-2-(2-thiophen-3-ylethoxy)benzaldehyde
CID 112611083
3-bromo-2-(3-methyl-2-phenylmethoxyphenoxy)benzaldehyde
CID 156873184
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde
CID 112611123
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 115955479

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde?
The IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde (CID 112610948) is 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde is Cc1cc(C)cc(COc2c(C)cccc2C=O)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde?
The InChIKey is MWXOFABPBYJJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-7-13(2)9-15(8-12)11-19-17-14(3)5-4-6-16(17)10-18/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde?
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 112610948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).