5-methyl-2-(3-phenylpropoxy)benzaldehyde

C17H18O2 — CID 54794870

IUPAC5-methyl-2-(3-phenylpropoxy)benzaldehyde
SMILESCc1ccc(OCCCc2ccccc2)c(C=O)c1
InChIInChI=1S/C17H18O2/c1-14-9-10-17(16(12-14)13-18)19-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3
InChIKeyBAPDMOYUBNRMAY-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.82
Rot. Bonds6

About 5-methyl-2-(3-phenylpropoxy)benzaldehyde

5-methyl-2-(3-phenylpropoxy)benzaldehyde (PubChem CID 54794870) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-methyl-2-(3-phenylpropoxy)benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-(3-phenylpropoxy)benzaldehyde
PubChem CID54794870
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name5-methyl-2-(3-phenylpropoxy)benzaldehyde
SMILESCc1ccc(OCCCc2ccccc2)c(C=O)c1
InChIInChI=1S/C17H18O2/c1-14-9-10-17(16(12-14)13-18)19-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3
InChIKeyBAPDMOYUBNRMAY-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325172
5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
CID 78933854
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
methyl 4-(2-formyl-4-methylphenoxy)butanoate
CID 63324744
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde
CID 54795214

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-phenylpropoxy)benzaldehyde?
The IUPAC name of 5-methyl-2-(3-phenylpropoxy)benzaldehyde (CID 54794870) is 5-methyl-2-(3-phenylpropoxy)benzaldehyde.
What is the SMILES notation for 5-methyl-2-(3-phenylpropoxy)benzaldehyde?
The canonical SMILES for 5-methyl-2-(3-phenylpropoxy)benzaldehyde is Cc1ccc(OCCCc2ccccc2)c(C=O)c1.
What is the InChIKey of 5-methyl-2-(3-phenylpropoxy)benzaldehyde?
The InChIKey is BAPDMOYUBNRMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-14-9-10-17(16(12-14)13-18)19-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3.
What are the key properties of 5-methyl-2-(3-phenylpropoxy)benzaldehyde?
5-methyl-2-(3-phenylpropoxy)benzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-phenylpropoxy)benzaldehyde is sourced from PubChem (CID 54794870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).