3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal

C19H22O5 — CID 91202911

IUPAC3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal
SMILESCOCCOc1ccc(C(C=O)CO)c(OCc2ccccc2)c1
InChIInChI=1S/C19H22O5/c1-22-9-10-23-17-7-8-18(16(12-20)13-21)19(11-17)24-14-15-5-3-2-4-6-15/h2-8,11-12,16,21H,9-10,13-14H2,1H3
InChIKeyIMGUCXFXQWNEAF-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.57
Rot. Bonds10

About 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal

3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal (PubChem CID 91202911) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal.

Molecular Properties

Compound Name3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal
PubChem CID91202911
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal
SMILESCOCCOc1ccc(C(C=O)CO)c(OCc2ccccc2)c1
InChIInChI=1S/C19H22O5/c1-22-9-10-23-17-7-8-18(16(12-20)13-21)19(11-17)24-14-15-5-3-2-4-6-15/h2-8,11-12,16,21H,9-10,13-14H2,1H3
InChIKeyIMGUCXFXQWNEAF-UHFFFAOYSA-N
XLogP2.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 68550256
3-[2,4-bis(phenylmethoxy)phenyl]butanal
CID 138513595
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
3-methoxy-2-(4-methoxy-2-phenylmethoxyphenyl)-3-oxopropanoic acid
CID 138968259
ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate
CID 138968204
methyl 2-[3-[2,4-bis(phenylmethoxy)phenyl]butanoylamino]propanoate
CID 129246220
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
methyl 4-oxo-3-(4-phenylmethoxyphenyl)butanoate
CID 118619469
2-bromo-1-(4-butoxy-2-phenylmethoxyphenyl)ethanone
CID 139559458
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511
1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene
CID 6709920

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal?
The IUPAC name of 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal (CID 91202911) is 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal.
What is the SMILES notation for 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal?
The canonical SMILES for 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal is COCCOc1ccc(C(C=O)CO)c(OCc2ccccc2)c1.
What is the InChIKey of 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal?
The InChIKey is IMGUCXFXQWNEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-22-9-10-23-17-7-8-18(16(12-20)13-21)19(11-17)24-14-15-5-3-2-4-6-15/h2-8,11-12,16,21H,9-10,13-14H2,1H3.
What are the key properties of 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal?
3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal has a molecular weight of 330.38 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal is sourced from PubChem (CID 91202911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).