5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde

C19H16O3 — CID 46909849

IUPAC5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde
SMILESCOc1cccc2cc(C=O)cc(OCc3ccccc3)c12
InChIInChI=1S/C19H16O3/c1-21-17-9-5-8-16-10-15(12-20)11-18(19(16)17)22-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyXEIADHBXFXIKQY-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.24
Rot. Bonds5

About 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde

5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde (PubChem CID 46909849) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde
PubChem CID46909849
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde
SMILESCOc1cccc2cc(C=O)cc(OCc3ccccc3)c12
InChIInChI=1S/C19H16O3/c1-21-17-9-5-8-16-10-15(12-20)11-18(19(16)17)22-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyXEIADHBXFXIKQY-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.24
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

3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde?
The IUPAC name of 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde (CID 46909849) is 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde?
The canonical SMILES for 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde is COc1cccc2cc(C=O)cc(OCc3ccccc3)c12.
What is the InChIKey of 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde?
The InChIKey is XEIADHBXFXIKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-21-17-9-5-8-16-10-15(12-20)11-18(19(16)17)22-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3.
What are the key properties of 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde?
5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde has a molecular weight of 292.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 46909849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).