(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol

C20H26O5 — CID 140633173

IUPAC(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol
SMILESCOc1ccc(COC[C@H](OCc2ccc(C)cc2)[C@H](O)CO)cc1
InChIInChI=1S/C20H26O5/c1-15-3-5-17(6-4-15)13-25-20(19(22)11-21)14-24-12-16-7-9-18(23-2)10-8-16/h3-10,19-22H,11-14H2,1-2H3/t19-,20+/m1/s1
InChIKeyFWRMXLODVCBSEW-UXHICEINSA-N
MW346.42 g/mol
LogP2.46
Rot. Bonds10

About (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol

(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol (PubChem CID 140633173) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol
PubChem CID140633173
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol
SMILESCOc1ccc(COC[C@H](OCc2ccc(C)cc2)[C@H](O)CO)cc1
InChIInChI=1S/C20H26O5/c1-15-3-5-17(6-4-15)13-25-20(19(22)11-21)14-24-12-16-7-9-18(23-2)10-8-16/h3-10,19-22H,11-14H2,1-2H3/t19-,20+/m1/s1
InChIKeyFWRMXLODVCBSEW-UXHICEINSA-N
XLogP2.46
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 140633182
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(2R,3S,4S,5R)-1,6-bis[(4-methylphenyl)methoxy]-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011280
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
2-[(4-methoxyphenyl)methoxy]propane-1,3-diol;bis(4-methylbenzenethiol)
CID 170714437
(2R,3R)-2-[(4-methoxyphenyl)methoxy]-7-methyloct-6-ene-1,3-diol
CID 71425675
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol
CID 11695341

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol?
The IUPAC name of (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol (CID 140633173) is (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol.
What is the SMILES notation for (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol?
The canonical SMILES for (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol is COc1ccc(COC[C@H](OCc2ccc(C)cc2)[C@H](O)CO)cc1.
What is the InChIKey of (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol?
The InChIKey is FWRMXLODVCBSEW-UXHICEINSA-N. The full InChI is InChI=1S/C20H26O5/c1-15-3-5-17(6-4-15)13-25-20(19(22)11-21)14-24-12-16-7-9-18(23-2)10-8-16/h3-10,19-22H,11-14H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol?
(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol has a molecular weight of 346.42 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol is sourced from PubChem (CID 140633173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).