4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde

C15H14O3 — CID 10562246

IUPAC4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
SMILES[3H]COc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C15H14O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/i1T
InChIKeyJSHLOPGSDZTEGQ-CNRUNOGKSA-N
MW244.28 g/mol
LogP3.09
Rot. Bonds6

About 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde

4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde (PubChem CID 10562246) has the molecular formula C15H14O3 and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde.

Molecular Properties

Compound Name4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
PubChem CID10562246
Molecular FormulaC15H14O3
Molecular Weight244.28 g/mol
Exact Mass244.10
IUPAC Name4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
SMILES[3H]COc1cc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C15H14O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/i1T
InChIKeyJSHLOPGSDZTEGQ-CNRUNOGKSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.09
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-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
4-benzylperoxy-3-methoxybenzaldehyde
CID 126613899
2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methylidene]butanedial
CID 85426297
bis(5-formyl-2-phenylmethoxyphenyl)iodanium bromide
CID 11204409
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
CID 168793636
2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid
CID 21051383

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde?
The IUPAC name of 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde (CID 10562246) is 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde.
What is the SMILES notation for 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde?
The canonical SMILES for 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde is [3H]COc1cc(C=O)ccc1OCc1ccccc1.
What is the InChIKey of 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde?
The InChIKey is JSHLOPGSDZTEGQ-CNRUNOGKSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/i1T.
What are the key properties of 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde?
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde has a molecular weight of 244.28 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde is sourced from PubChem (CID 10562246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).