2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde

C22H20O3 — CID 6709912

IUPAC2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
SMILESO=CCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O3/c23-14-13-20-11-12-21(24-16-18-7-3-1-4-8-18)15-22(20)25-17-19-9-5-2-6-10-19/h1-12,14-15H,13,16-17H2
InChIKeyLWHVFLJVXJCPGU-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.59
Rot. Bonds8

About 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde

2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde (PubChem CID 6709912) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
PubChem CID6709912
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
SMILESO=CCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O3/c23-14-13-20-11-12-21(24-16-18-7-3-1-4-8-18)15-22(20)25-17-19-9-5-2-6-10-19/h1-12,14-15H,13,16-17H2
InChIKeyLWHVFLJVXJCPGU-UHFFFAOYSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.59
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-bis(phenylmethoxy)phenyl]methyl formate
CID 87851163
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
3-[2,4-bis(phenylmethoxy)phenyl]butanal
CID 138513595
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine
CID 129255521
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
CID 118578588
3-(2-methoxy-5-phenylmethoxyphenyl)propanal
CID 71659859

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde?
The IUPAC name of 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde (CID 6709912) is 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde?
The canonical SMILES for 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde is O=CCc1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde?
The InChIKey is LWHVFLJVXJCPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c23-14-13-20-11-12-21(24-16-18-7-3-1-4-8-18)15-22(20)25-17-19-9-5-2-6-10-19/h1-12,14-15H,13,16-17H2.
What are the key properties of 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde?
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde has a molecular weight of 332.40 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde is sourced from PubChem (CID 6709912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).