2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde

C16H16O3 — CID 60643670

IUPAC2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde
SMILESCOc1ccc(CCOc2ccccc2C=O)cc1
InChIInChI=1S/C16H16O3/c1-18-15-8-6-13(7-9-15)10-11-19-16-5-3-2-4-14(16)12-17/h2-9,12H,10-11H2,1H3
InChIKeyLJCAACLHQWKVEY-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.13
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde

2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde (PubChem CID 60643670) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde
PubChem CID60643670
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde
SMILESCOc1ccc(CCOc2ccccc2C=O)cc1
InChIInChI=1S/C16H16O3/c1-18-15-8-6-13(7-9-15)10-11-19-16-5-3-2-4-14(16)12-17/h2-9,12H,10-11H2,1H3
InChIKeyLJCAACLHQWKVEY-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde
CID 115955548
2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107713184
2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
CID 51340439
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65447336
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde
CID 11389108
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
2-(4-ethylphenoxy)benzaldehyde
CID 29041486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde (CID 60643670) is 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde is COc1ccc(CCOc2ccccc2C=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde?
The InChIKey is LJCAACLHQWKVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-15-8-6-13(7-9-15)10-11-19-16-5-3-2-4-14(16)12-17/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde?
2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde is sourced from PubChem (CID 60643670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).