3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde

C17H18O3 — CID 59544470

IUPAC3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde
SMILESCc1c(C=O)cccc1-c1cccc(OCCO)c1C
InChIInChI=1S/C17H18O3/c1-12-14(11-19)5-3-6-15(12)16-7-4-8-17(13(16)2)20-10-9-18/h3-8,11,18H,9-10H2,1-2H3
InChIKeySTGIYWSCQURCEY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds5

About 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde

3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde (PubChem CID 59544470) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde
PubChem CID59544470
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde
SMILESCc1c(C=O)cccc1-c1cccc(OCCO)c1C
InChIInChI=1S/C17H18O3/c1-12-14(11-19)5-3-6-15(12)16-7-4-8-17(13(16)2)20-10-9-18/h3-8,11,18H,9-10H2,1-2H3
InChIKeySTGIYWSCQURCEY-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde
CID 134954056
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 15933584
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
CID 14688776
2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700
5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
CID 22039827
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
2,3-bis(2-fluoroethoxy)benzaldehyde
CID 15058684

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde?
The IUPAC name of 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde (CID 59544470) is 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde.
What is the SMILES notation for 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde?
The canonical SMILES for 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde is Cc1c(C=O)cccc1-c1cccc(OCCO)c1C.
What is the InChIKey of 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde?
The InChIKey is STGIYWSCQURCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-14(11-19)5-3-6-15(12)16-7-4-8-17(13(16)2)20-10-9-18/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde?
3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde is sourced from PubChem (CID 59544470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).