3-(4-methoxyphenyl)phthalaldehyde

C15H12O3 — CID 174870899

IUPAC3-(4-methoxyphenyl)phthalaldehyde
SMILESCOc1ccc(-c2cccc(C=O)c2C=O)cc1
InChIInChI=1S/C15H12O3/c1-18-13-7-5-11(6-8-13)14-4-2-3-12(9-16)15(14)10-17/h2-10H,1H3
InChIKeyLBEZCDPYYSRXJX-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.99
Rot. Bonds4

About 3-(4-methoxyphenyl)phthalaldehyde

3-(4-methoxyphenyl)phthalaldehyde (PubChem CID 174870899) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)phthalaldehyde.

Molecular Properties

Compound Name3-(4-methoxyphenyl)phthalaldehyde
PubChem CID174870899
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-(4-methoxyphenyl)phthalaldehyde
SMILESCOc1ccc(-c2cccc(C=O)c2C=O)cc1
InChIInChI=1S/C15H12O3/c1-18-13-7-5-11(6-8-13)14-4-2-3-12(9-16)15(14)10-17/h2-10H,1H3
InChIKeyLBEZCDPYYSRXJX-UHFFFAOYSA-N
XLogP2.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.99
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-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
3-fluoro-2-(4-methoxyphenyl)benzaldehyde
CID 135055449
2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde
CID 164894115
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
2-[4-[2-amino-2-[[4-[2-carboxy-3-(4-methoxyphenyl)phenyl]phenoxy]methyl]-3-[4-[2-formyl-3-(4-methoxyphenyl)phenyl]phenoxy]propoxy]phenyl]-6-(4-methoxyphenyl)benzoic acid
CID 88952490
2-(4-methoxyphenyl)-3-nitrobenzaldehyde
CID 174417742
5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde
CID 15311157
2-[4-(methoxymethoxy)phenyl]benzaldehyde
CID 22125803
2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde
CID 135055450
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline
CID 10377586

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)phthalaldehyde?
The IUPAC name of 3-(4-methoxyphenyl)phthalaldehyde (CID 174870899) is 3-(4-methoxyphenyl)phthalaldehyde.
What is the SMILES notation for 3-(4-methoxyphenyl)phthalaldehyde?
The canonical SMILES for 3-(4-methoxyphenyl)phthalaldehyde is COc1ccc(-c2cccc(C=O)c2C=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)phthalaldehyde?
The InChIKey is LBEZCDPYYSRXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-18-13-7-5-11(6-8-13)14-4-2-3-12(9-16)15(14)10-17/h2-10H,1H3.
What are the key properties of 3-(4-methoxyphenyl)phthalaldehyde?
3-(4-methoxyphenyl)phthalaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)phthalaldehyde is sourced from PubChem (CID 174870899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).