(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol

C18H22O4 — CID 14303090

IUPAC(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
SMILESOC[C@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C18H22O4/c19-11-18(22-13-16-9-5-2-6-10-16)17(20)14-21-12-15-7-3-1-4-8-15/h1-10,17-20H,11-14H2/t17-,18-/m0/s1
InChIKeyDHSYDAKMRZRYEE-ROUUACIJSA-N
MW302.37 g/mol
LogP2.14
Rot. Bonds9

About (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol

(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol (PubChem CID 14303090) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol.

Molecular Properties

Compound Name(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
PubChem CID14303090
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
SMILESOC[C@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C18H22O4/c19-11-18(22-13-16-9-5-2-6-10-16)17(20)14-21-12-15-7-3-1-4-8-15/h1-10,17-20H,11-14H2/t17-,18-/m0/s1
InChIKeyDHSYDAKMRZRYEE-ROUUACIJSA-N
XLogP2.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2S,3R,4R,5S,6S,7S,8R,9S,10R,11R)-2,3,4,6,7,8,9,10,11,12-decakis(phenylmethoxy)dodecane-1,5-diol
CID 10653976
(2R,3S)-3-(3-hydroxypropoxy)-1,4-bis(phenylmethoxy)butan-2-ol
CID 121493935
(2S)-2-phenylmethoxyhenicosane-1,3-diol
CID 70526440
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol?
The IUPAC name of (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol (CID 14303090) is (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol.
What is the SMILES notation for (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol?
The canonical SMILES for (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol is OC[C@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol?
The InChIKey is DHSYDAKMRZRYEE-ROUUACIJSA-N. The full InChI is InChI=1S/C18H22O4/c19-11-18(22-13-16-9-5-2-6-10-16)17(20)14-21-12-15-7-3-1-4-8-15/h1-10,17-20H,11-14H2/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol?
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol has a molecular weight of 302.37 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol is sourced from PubChem (CID 14303090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).