2-(2-methylpropoxy)-5-phenylbenzaldehyde

C17H18O2 — CID 54795057

IUPAC2-(2-methylpropoxy)-5-phenylbenzaldehyde
SMILESCC(C)COc1ccc(-c2ccccc2)cc1C=O
InChIInChI=1S/C17H18O2/c1-13(2)12-19-17-9-8-15(10-16(17)11-18)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyGMORCBJQSHZKNQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.20
Rot. Bonds5

About 2-(2-methylpropoxy)-5-phenylbenzaldehyde

2-(2-methylpropoxy)-5-phenylbenzaldehyde (PubChem CID 54795057) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-5-phenylbenzaldehyde.

Molecular Properties

Compound Name2-(2-methylpropoxy)-5-phenylbenzaldehyde
PubChem CID54795057
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(2-methylpropoxy)-5-phenylbenzaldehyde
SMILESCC(C)COc1ccc(-c2ccccc2)cc1C=O
InChIInChI=1S/C17H18O2/c1-13(2)12-19-17-9-8-15(10-16(17)11-18)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyGMORCBJQSHZKNQ-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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

5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068
3-formyl-4-(2-methylpropoxy)benzonitrile
CID 66553606
2-(2-methylpropoxy)-4-phenylbenzoic acid
CID 162369990
2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid;methanamine
CID 54588797
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde
CID 54795080
4-phenyl-2-propan-2-ylbenzaldehyde
CID 14895374
ethyl 3-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,2-oxazole-5-carboxylate
CID 46897680
2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde
CID 87737379
3-(2-methylpropoxy)-2,5-diphenylfuran
CID 11300822
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
tert-butyl 4-(3-formyl-4-phenylmethoxyphenyl)benzoate
CID 178183614

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-5-phenylbenzaldehyde?
The IUPAC name of 2-(2-methylpropoxy)-5-phenylbenzaldehyde (CID 54795057) is 2-(2-methylpropoxy)-5-phenylbenzaldehyde.
What is the SMILES notation for 2-(2-methylpropoxy)-5-phenylbenzaldehyde?
The canonical SMILES for 2-(2-methylpropoxy)-5-phenylbenzaldehyde is CC(C)COc1ccc(-c2ccccc2)cc1C=O.
What is the InChIKey of 2-(2-methylpropoxy)-5-phenylbenzaldehyde?
The InChIKey is GMORCBJQSHZKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(2)12-19-17-9-8-15(10-16(17)11-18)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)-5-phenylbenzaldehyde?
2-(2-methylpropoxy)-5-phenylbenzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-5-phenylbenzaldehyde is sourced from PubChem (CID 54795057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).