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

C19H23BrO5 — CID 140633182

IUPAC(2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
SMILESCOc1ccc(COC[C@H](OCc2ccccc2Br)[C@H](O)CO)cc1
InChIInChI=1S/C19H23BrO5/c1-23-16-8-6-14(7-9-16)11-24-13-19(18(22)10-21)25-12-15-4-2-3-5-17(15)20/h2-9,18-19,21-22H,10-13H2,1H3/t18-,19+/m1/s1
InChIKeyFTCZRDKVILWGPG-MOPGFXCFSA-N
MW411.29 g/mol
LogP2.91
Rot. Bonds10

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

(2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol (PubChem CID 140633182) has the molecular formula C19H23BrO5 and a molecular weight of 411.29 g/mol. Its IUPAC name is (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
PubChem CID140633182
Molecular FormulaC19H23BrO5
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC Name(2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
SMILESCOc1ccc(COC[C@H](OCc2ccccc2Br)[C@H](O)CO)cc1
InChIInChI=1S/C19H23BrO5/c1-23-16-8-6-14(7-9-16)11-24-13-19(18(22)10-21)25-12-15-4-2-3-5-17(15)20/h2-9,18-19,21-22H,10-13H2,1H3/t18-,19+/m1/s1
InChIKeyFTCZRDKVILWGPG-MOPGFXCFSA-N
XLogP2.91
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol
CID 140633173
(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
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol
CID 11695341
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
1-bromo-2-[[2-iodo-1-(4-methoxyphenyl)ethoxy]methyl]benzene
CID 114774919
1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene
CID 10506341
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol?
The IUPAC name of (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol (CID 140633182) is (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol.
What is the SMILES notation for (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol?
The canonical SMILES for (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol is COc1ccc(COC[C@H](OCc2ccccc2Br)[C@H](O)CO)cc1.
What is the InChIKey of (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol?
The InChIKey is FTCZRDKVILWGPG-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23BrO5/c1-23-16-8-6-14(7-9-16)11-24-13-19(18(22)10-21)25-12-15-4-2-3-5-17(15)20/h2-9,18-19,21-22H,10-13H2,1H3/t18-,19+/m1/s1.
What are the key properties of (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol?
(2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol has a molecular weight of 411.29 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol is sourced from PubChem (CID 140633182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).