2-(2-ethoxyphenyl)-5-methylbenzaldehyde

C16H16O2 — CID 172649130

IUPAC2-(2-ethoxyphenyl)-5-methylbenzaldehyde
SMILESCCOc1ccccc1-c1ccc(C)cc1C=O
InChIInChI=1S/C16H16O2/c1-3-18-16-7-5-4-6-15(16)14-9-8-12(2)10-13(14)11-17/h4-11H,3H2,1-2H3
InChIKeySPGBGZGFHPYNCD-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.87
Rot. Bonds4

About 2-(2-ethoxyphenyl)-5-methylbenzaldehyde

2-(2-ethoxyphenyl)-5-methylbenzaldehyde (PubChem CID 172649130) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-5-methylbenzaldehyde
PubChem CID172649130
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(2-ethoxyphenyl)-5-methylbenzaldehyde
SMILESCCOc1ccccc1-c1ccc(C)cc1C=O
InChIInChI=1S/C16H16O2/c1-3-18-16-7-5-4-6-15(16)14-9-8-12(2)10-13(14)11-17/h4-11H,3H2,1-2H3
InChIKeySPGBGZGFHPYNCD-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.87
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

2-(2-ethoxyphenyl)-5-methylaniline
CID 82766449
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
CID 58758682
4-(2-ethoxyphenyl)-5-nitro-2-piperidin-1-ylbenzaldehyde
CID 87836920
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one
CID 9320225
2-ethenyl-1-ethoxy-3-(2-ethoxyphenyl)benzene
CID 69455028

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-5-methylbenzaldehyde?
The IUPAC name of 2-(2-ethoxyphenyl)-5-methylbenzaldehyde (CID 172649130) is 2-(2-ethoxyphenyl)-5-methylbenzaldehyde.
What is the SMILES notation for 2-(2-ethoxyphenyl)-5-methylbenzaldehyde?
The canonical SMILES for 2-(2-ethoxyphenyl)-5-methylbenzaldehyde is CCOc1ccccc1-c1ccc(C)cc1C=O.
What is the InChIKey of 2-(2-ethoxyphenyl)-5-methylbenzaldehyde?
The InChIKey is SPGBGZGFHPYNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-18-16-7-5-4-6-15(16)14-9-8-12(2)10-13(14)11-17/h4-11H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-5-methylbenzaldehyde?
2-(2-ethoxyphenyl)-5-methylbenzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-5-methylbenzaldehyde is sourced from PubChem (CID 172649130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).