(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal

C10H12O4 — CID 124563622

IUPAC(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc([C@H](O)[C@@H](O)C=O)cc1
InChIInChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)10(13)9(12)6-11/h2-6,9-10,12-13H,1H3/t9-,10-/m0/s1
InChIKeyHWUNYPVMZMIARC-UWVGGRQHSA-N
MW196.20 g/mol
LogP0.29
Rot. Bonds4

About (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal

(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal (PubChem CID 124563622) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
PubChem CID124563622
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc([C@H](O)[C@@H](O)C=O)cc1
InChIInChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)10(13)9(12)6-11/h2-6,9-10,12-13H,1H3/t9-,10-/m0/s1
InChIKeyHWUNYPVMZMIARC-UWVGGRQHSA-N
XLogP0.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 105485252
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 15011210
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 140981337
(1S,2R)-1-(4-bromophenyl)-2-(4-methoxyphenyl)but-3-en-1-ol
CID 101336331

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal?
The IUPAC name of (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal (CID 124563622) is (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal.
What is the SMILES notation for (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal?
The canonical SMILES for (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal is COc1ccc([C@H](O)[C@@H](O)C=O)cc1.
What is the InChIKey of (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal?
The InChIKey is HWUNYPVMZMIARC-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)10(13)9(12)6-11/h2-6,9-10,12-13H,1H3/t9-,10-/m0/s1.
What are the key properties of (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal?
(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal has a molecular weight of 196.20 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal is sourced from PubChem (CID 124563622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).