(2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane

C16H23IO4 — CID 10835153

IUPAC(2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane
SMILESCOc1ccc(CO[C@H]2C[C@@H](CI)O[C@@H](OC)[C@@H]2C)cc1
InChIInChI=1S/C16H23IO4/c1-11-15(8-14(9-17)21-16(11)19-3)20-10-12-4-6-13(18-2)7-5-12/h4-7,11,14-16H,8-10H2,1-3H3/t11-,14+,15+,16-/m1/s1
InChIKeyFPLSWCPTJMHMTK-IPOQPSJVSA-N
MW406.26 g/mol
LogP3.41
Rot. Bonds6

About (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane

(2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane (PubChem CID 10835153) has the molecular formula C16H23IO4 and a molecular weight of 406.26 g/mol. Its IUPAC name is (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane.

Molecular Properties

Compound Name(2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane
PubChem CID10835153
Molecular FormulaC16H23IO4
Molecular Weight406.26 g/mol
Exact Mass406.06
IUPAC Name(2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane
SMILESCOc1ccc(CO[C@H]2C[C@@H](CI)O[C@@H](OC)[C@@H]2C)cc1
InChIInChI=1S/C16H23IO4/c1-11-15(8-14(9-17)21-16(11)19-3)20-10-12-4-6-13(18-2)7-5-12/h4-7,11,14-16H,8-10H2,1-3H3/t11-,14+,15+,16-/m1/s1
InChIKeyFPLSWCPTJMHMTK-IPOQPSJVSA-N
XLogP3.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171124705
[(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol
CID 102128098
(1S,2S,4R,5R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 44596491
(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 70223626
(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane
CID 100966838
tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane
CID 134896322
(2S,3R,4S,5R,6R)-2-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)-6-prop-2-ynyloxane
CID 11249104
[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245
(2S,3S,5R,6S)-2-(iodomethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxane
CID 10917646
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104674532

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane?
The IUPAC name of (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane (CID 10835153) is (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane.
What is the SMILES notation for (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane?
The canonical SMILES for (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane is COc1ccc(CO[C@H]2C[C@@H](CI)O[C@@H](OC)[C@@H]2C)cc1.
What is the InChIKey of (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane?
The InChIKey is FPLSWCPTJMHMTK-IPOQPSJVSA-N. The full InChI is InChI=1S/C16H23IO4/c1-11-15(8-14(9-17)21-16(11)19-3)20-10-12-4-6-13(18-2)7-5-12/h4-7,11,14-16H,8-10H2,1-3H3/t11-,14+,15+,16-/m1/s1.
What are the key properties of (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane?
(2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane has a molecular weight of 406.26 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane is sourced from PubChem (CID 10835153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).