2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde

C24H24O4 — CID 90026257

IUPAC2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde
SMILESO=CCc1ccc(OC[C@@H](O)[C@H](OCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24O4/c25-16-15-19-11-13-22(14-12-19)27-18-23(26)24(21-9-5-2-6-10-21)28-17-20-7-3-1-4-8-20/h1-14,16,23-24,26H,15,17-18H2/t23-,24-/m1/s1
InChIKeyOKMMRWLNZNTVQA-DNQXCXABSA-N
MW376.45 g/mol
LogP4.13
Rot. Bonds10

About 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde

2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde (PubChem CID 90026257) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde
PubChem CID90026257
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde
SMILESO=CCc1ccc(OC[C@@H](O)[C@H](OCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24O4/c25-16-15-19-11-13-22(14-12-19)27-18-23(26)24(21-9-5-2-6-10-21)28-17-20-7-3-1-4-8-20/h1-14,16,23-24,26H,15,17-18H2/t23-,24-/m1/s1
InChIKeyOKMMRWLNZNTVQA-DNQXCXABSA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
CID 118960659
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
2-(4-benzhydryloxyphenyl)acetaldehyde
CID 167471683
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
(2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011292
(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
CID 52912809
(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
CID 134864557
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
3-phenylmethoxypentanedial
CID 154678181
(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol
CID 15981856
1-(2,2-difluoroethoxy)-1,3-diphenylpropan-2-ol
CID 82006560
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde?
The IUPAC name of 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde (CID 90026257) is 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde is O=CCc1ccc(OC[C@@H](O)[C@H](OCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde?
The InChIKey is OKMMRWLNZNTVQA-DNQXCXABSA-N. The full InChI is InChI=1S/C24H24O4/c25-16-15-19-11-13-22(14-12-19)27-18-23(26)24(21-9-5-2-6-10-21)28-17-20-7-3-1-4-8-20/h1-14,16,23-24,26H,15,17-18H2/t23-,24-/m1/s1.
What are the key properties of 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde?
2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde has a molecular weight of 376.45 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxypropoxy]phenyl]acetaldehyde is sourced from PubChem (CID 90026257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).