2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde

C17H18O2 — CID 91241633

IUPAC2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde
SMILESCc1ccc(C)c(COc2ccc(CC=O)cc2)c1
InChIInChI=1S/C17H18O2/c1-13-3-4-14(2)16(11-13)12-19-17-7-5-15(6-8-17)9-10-18/h3-8,10-11H,9,12H2,1-2H3
InChIKeyVSDOVTGQMDXJOF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.62
Rot. Bonds5

About 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde

2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde (PubChem CID 91241633) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde
PubChem CID91241633
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde
SMILESCc1ccc(C)c(COc2ccc(CC=O)cc2)c1
InChIInChI=1S/C17H18O2/c1-13-3-4-14(2)16(11-13)12-19-17-7-5-15(6-8-17)9-10-18/h3-8,10-11H,9,12H2,1-2H3
InChIKeyVSDOVTGQMDXJOF-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982
[4-[(2,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 61481951
4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
CID 61481990
1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone
CID 83953133
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzoic acid
CID 107675339
N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110840934
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999556
4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
CID 83953119
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
5-[(2,5-dimethylphenyl)methoxy]-1H-indole
CID 80642432
4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840727
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde?
The IUPAC name of 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde (CID 91241633) is 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde is Cc1ccc(C)c(COc2ccc(CC=O)cc2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde?
The InChIKey is VSDOVTGQMDXJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-3-4-14(2)16(11-13)12-19-17-7-5-15(6-8-17)9-10-18/h3-8,10-11H,9,12H2,1-2H3.
What are the key properties of 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde?
2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde is sourced from PubChem (CID 91241633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).