(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal

C15H22O4 — CID 10491992

IUPAC(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
SMILESCOc1ccc(COC[C@@H](C)[C@@H](O)[C@@H](C)C=O)cc1
InChIInChI=1S/C15H22O4/c1-11(8-16)15(17)12(2)9-19-10-13-4-6-14(18-3)7-5-13/h4-8,11-12,15,17H,9-10H2,1-3H3/t11-,12+,15-/m0/s1
InChIKeyIZKIRTVEEBPCEY-ZOWXZIJZSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds8

About (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal

(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal (PubChem CID 10491992) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal.

Molecular Properties

Compound Name(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
PubChem CID10491992
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
SMILESCOc1ccc(COC[C@@H](C)[C@@H](O)[C@@H](C)C=O)cc1
InChIInChI=1S/C15H22O4/c1-11(8-16)15(17)12(2)9-19-10-13-4-6-14(18-3)7-5-13/h4-8,11-12,15,17H,9-10H2,1-3H3/t11-,12+,15-/m0/s1
InChIKeyIZKIRTVEEBPCEY-ZOWXZIJZSA-N
XLogP2.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
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

(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
CID 11176467
(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
CID 11141931
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106
[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate
CID 71726345
(5S,6S)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,6-dimethylheptan-3-one
CID 101412601
ethyl (E,5S,6S,7R)-6-hydroxy-8-[(4-methoxyphenyl)methoxy]-5,7-dimethyloct-2-enoate
CID 15449658
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal?
The IUPAC name of (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal (CID 10491992) is (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal.
What is the SMILES notation for (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal?
The canonical SMILES for (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal is COc1ccc(COC[C@@H](C)[C@@H](O)[C@@H](C)C=O)cc1.
What is the InChIKey of (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal?
The InChIKey is IZKIRTVEEBPCEY-ZOWXZIJZSA-N. The full InChI is InChI=1S/C15H22O4/c1-11(8-16)15(17)12(2)9-19-10-13-4-6-14(18-3)7-5-13/h4-8,11-12,15,17H,9-10H2,1-3H3/t11-,12+,15-/m0/s1.
What are the key properties of (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal?
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal has a molecular weight of 266.34 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal is sourced from PubChem (CID 10491992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).