[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate

C19H30O5 — CID 71726345

IUPAC[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C19H30O5/c1-6-18(20)24-15(4)14(3)19(21)13(2)11-23-12-16-7-9-17(22-5)10-8-16/h7-10,13-15,19,21H,6,11-12H2,1-5H3/t13-,14+,15-,19-/m1/s1
InChIKeyFCQXQHRRHWMOOH-NXEZDXNNSA-N
MW338.44 g/mol
LogP3.19
Rot. Bonds10

About [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate

[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate (PubChem CID 71726345) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate
PubChem CID71726345
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C19H30O5/c1-6-18(20)24-15(4)14(3)19(21)13(2)11-23-12-16-7-9-17(22-5)10-8-16/h7-10,13-15,19,21H,6,11-12H2,1-5H3/t13-,14+,15-,19-/m1/s1
InChIKeyFCQXQHRRHWMOOH-NXEZDXNNSA-N
XLogP3.19
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate with MolForge

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Related Compounds

(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
CID 11141931
(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
tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate
CID 11278776
[(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate
CID 102287210
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
CID 101074117
ethyl (2R,3S,4S,5S,6S)-2,3-dihydroxy-5-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-7-phenylmethoxyheptanoate
CID 10906647
[2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate
CID 145115575

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate?
The IUPAC name of [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate (CID 71726345) is [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate.
What is the SMILES notation for [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate?
The canonical SMILES for [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate is CCC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)COCc1ccc(OC)cc1.
What is the InChIKey of [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate?
The InChIKey is FCQXQHRRHWMOOH-NXEZDXNNSA-N. The full InChI is InChI=1S/C19H30O5/c1-6-18(20)24-15(4)14(3)19(21)13(2)11-23-12-16-7-9-17(22-5)10-8-16/h7-10,13-15,19,21H,6,11-12H2,1-5H3/t13-,14+,15-,19-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate?
[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate has a molecular weight of 338.44 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate is sourced from PubChem (CID 71726345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).