4-hydroxy-2-phenylmethoxypentanal

C12H16O3 — CID 150721664

IUPAC4-hydroxy-2-phenylmethoxypentanal
SMILESCC(O)CC(C=O)OCc1ccccc1
InChIInChI=1S/C12H16O3/c1-10(14)7-12(8-13)15-9-11-5-3-2-4-6-11/h2-6,8,10,12,14H,7,9H2,1H3
InChIKeyJPZGIIBVMOTODA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.54
Rot. Bonds6

About 4-hydroxy-2-phenylmethoxypentanal

4-hydroxy-2-phenylmethoxypentanal (PubChem CID 150721664) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-hydroxy-2-phenylmethoxypentanal.

Molecular Properties

Compound Name4-hydroxy-2-phenylmethoxypentanal
PubChem CID150721664
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-hydroxy-2-phenylmethoxypentanal
SMILESCC(O)CC(C=O)OCc1ccccc1
InChIInChI=1S/C12H16O3/c1-10(14)7-12(8-13)15-9-11-5-3-2-4-6-11/h2-6,8,10,12,14H,7,9H2,1H3
InChIKeyJPZGIIBVMOTODA-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-methyl-4-oxo-2-phenylmethoxyhexanal
CID 102575982
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107
methanol;3-phenylmethoxybutanal
CID 170758415
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
(4R)-3-hydroxy-2,2-dimethyl-4-phenylmethoxypentanal
CID 135040857
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
(2R)-4-oxo-2-phenylmethoxydecanal
CID 102575981
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenylmethoxypentanal?
The IUPAC name of 4-hydroxy-2-phenylmethoxypentanal (CID 150721664) is 4-hydroxy-2-phenylmethoxypentanal.
What is the SMILES notation for 4-hydroxy-2-phenylmethoxypentanal?
The canonical SMILES for 4-hydroxy-2-phenylmethoxypentanal is CC(O)CC(C=O)OCc1ccccc1.
What is the InChIKey of 4-hydroxy-2-phenylmethoxypentanal?
The InChIKey is JPZGIIBVMOTODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-10(14)7-12(8-13)15-9-11-5-3-2-4-6-11/h2-6,8,10,12,14H,7,9H2,1H3.
What are the key properties of 4-hydroxy-2-phenylmethoxypentanal?
4-hydroxy-2-phenylmethoxypentanal has a molecular weight of 208.26 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenylmethoxypentanal is sourced from PubChem (CID 150721664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).