(2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane

C20H24O3 — CID 66634376

IUPAC(2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane
SMILESCOc1ccc(Cc2ccccc2O[C@H]2CCC[C@@H](C)O2)cc1
InChIInChI=1S/C20H24O3/c1-15-6-5-9-20(22-15)23-19-8-4-3-7-17(19)14-16-10-12-18(21-2)13-11-16/h3-4,7-8,10-13,15,20H,5-6,9,14H2,1-2H3/t15-,20+/m1/s1
InChIKeyIHFJOFIRFCYUQR-QRWLVFNGSA-N
MW312.41 g/mol
LogP4.58
Rot. Bonds5

About (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane

(2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane (PubChem CID 66634376) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane.

Molecular Properties

Compound Name(2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane
PubChem CID66634376
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane
SMILESCOc1ccc(Cc2ccccc2O[C@H]2CCC[C@@H](C)O2)cc1
InChIInChI=1S/C20H24O3/c1-15-6-5-9-20(22-15)23-19-8-4-3-7-17(19)14-16-10-12-18(21-2)13-11-16/h3-4,7-8,10-13,15,20H,5-6,9,14H2,1-2H3/t15-,20+/m1/s1
InChIKeyIHFJOFIRFCYUQR-QRWLVFNGSA-N
XLogP4.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
CID 170396579
2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane-3,4,5-triol
CID 70981169
hydroxy-[[4-hydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methoxy]-oxoazanium
CID 123853344
ethyl 3-[6-[2-[(4-methoxyphenyl)methyl]phenoxy]-4-nitrosooxan-2-yl]propanoate
CID 146214219
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]-3-methyloxane-3,4,5-triol
CID 68989703
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl propanoate
CID 91181002
2-methyl-6-phenylmethoxyoxane
CID 85344658
ethyl [3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl carbonate
CID 22506569
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylphosphane
CID 174887111
methyl [(E)-[(3S,5R)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-ylidene]methyl] carbonate
CID 143898481
[2-[(4-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335204
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane?
The IUPAC name of (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane (CID 66634376) is (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane.
What is the SMILES notation for (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane?
The canonical SMILES for (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane is COc1ccc(Cc2ccccc2O[C@H]2CCC[C@@H](C)O2)cc1.
What is the InChIKey of (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane?
The InChIKey is IHFJOFIRFCYUQR-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H24O3/c1-15-6-5-9-20(22-15)23-19-8-4-3-7-17(19)14-16-10-12-18(21-2)13-11-16/h3-4,7-8,10-13,15,20H,5-6,9,14H2,1-2H3/t15-,20+/m1/s1.
What are the key properties of (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane?
(2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane has a molecular weight of 312.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[2-[(4-methoxyphenyl)methyl]phenoxy]-6-methyloxane is sourced from PubChem (CID 66634376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).