(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol

C19H23BrO4 — CID 141348712

IUPAC(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
SMILESCOc1ccc(COC[C@H](OCc2ccc(Br)cc2)[C@@H](C)O)cc1
InChIInChI=1S/C19H23BrO4/c1-14(21)19(24-12-16-3-7-17(20)8-4-16)13-23-11-15-5-9-18(22-2)10-6-15/h3-10,14,19,21H,11-13H2,1-2H3/t14-,19+/m1/s1
InChIKeyQOZKEPOOVJHTRT-KUHUBIRLSA-N
MW395.29 g/mol
LogP3.94
Rot. Bonds9

About (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol

(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol (PubChem CID 141348712) has the molecular formula C19H23BrO4 and a molecular weight of 395.29 g/mol. Its IUPAC name is (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
PubChem CID141348712
Molecular FormulaC19H23BrO4
Molecular Weight395.29 g/mol
Exact Mass394.08
IUPAC Name(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
SMILESCOc1ccc(COC[C@H](OCc2ccc(Br)cc2)[C@@H](C)O)cc1
InChIInChI=1S/C19H23BrO4/c1-14(21)19(24-12-16-3-7-17(20)8-4-16)13-23-11-15-5-9-18(22-2)10-6-15/h3-10,14,19,21H,11-13H2,1-2H3/t14-,19+/m1/s1
InChIKeyQOZKEPOOVJHTRT-KUHUBIRLSA-N
XLogP3.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol with MolForge

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Related Compounds

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,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol
CID 140633173
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(2R,3S)-3-[(2-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 140633182
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
CID 46896141
1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene
CID 10506341
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol?
The IUPAC name of (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol (CID 141348712) is (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol?
The canonical SMILES for (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol is COc1ccc(COC[C@H](OCc2ccc(Br)cc2)[C@@H](C)O)cc1.
What is the InChIKey of (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol?
The InChIKey is QOZKEPOOVJHTRT-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H23BrO4/c1-14(21)19(24-12-16-3-7-17(20)8-4-16)13-23-11-15-5-9-18(22-2)10-6-15/h3-10,14,19,21H,11-13H2,1-2H3/t14-,19+/m1/s1.
What are the key properties of (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol?
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol has a molecular weight of 395.29 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol is sourced from PubChem (CID 141348712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).