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

C16H16O2 — CID 20510517

IUPAC4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
SMILESCOc1ccc(CCc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H16O2/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-12H,2-3H2,1H3
InChIKeyFIMUARGCFWKPBB-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.29
Rot. Bonds5

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

4-[2-(4-methoxyphenyl)ethyl]benzaldehyde (PubChem CID 20510517) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
PubChem CID20510517
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
SMILESCOc1ccc(CCc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H16O2/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-12H,2-3H2,1H3
InChIKeyFIMUARGCFWKPBB-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.29
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

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
4-[N-(3,4-dimethylphenyl)-4-[2-[4-(N-(3,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethyl]anilino]benzaldehyde
CID 89418016
2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde
CID 23291631
(4-formylphenyl) 2-(4-methoxyphenyl)acetate
CID 39199740
4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde
CID 123787066
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
4-[bis(4-methoxyphenyl)-methyl-λ4-sulfanyl]benzaldehyde
CID 143277732
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
4-methoxybenzaldehyde;toluene
CID 174462701
4-(4-butylphenoxy)benzaldehyde
CID 10824839
(4-methoxyphenyl)methyl 3-(4-formylphenyl)prop-2-enoate
CID 86758303

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]benzaldehyde?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]benzaldehyde (CID 20510517) is 4-[2-(4-methoxyphenyl)ethyl]benzaldehyde.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]benzaldehyde?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]benzaldehyde is COc1ccc(CCc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]benzaldehyde?
The InChIKey is FIMUARGCFWKPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-12H,2-3H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]benzaldehyde?
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]benzaldehyde is sourced from PubChem (CID 20510517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).