(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol

C21H28O6 — CID 121460426

IUPAC(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
SMILESCOc1ccc(CO[C@@H]([C@H](C)O)[C@H](CO)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O6/c1-15(23)21(27-14-17-6-10-19(25-3)11-7-17)20(12-22)26-13-16-4-8-18(24-2)9-5-16/h4-11,15,20-23H,12-14H2,1-3H3/t15-,20-,21-/m0/s1
InChIKeyUTISFDWDMBOBKJ-JHVJFLLYSA-N
MW376.45 g/mol
LogP2.55
Rot. Bonds11

About (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol

(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol (PubChem CID 121460426) has the molecular formula C21H28O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
PubChem CID121460426
Molecular FormulaC21H28O6
Molecular Weight376.45 g/mol
Exact Mass376.19
IUPAC Name(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
SMILESCOc1ccc(CO[C@@H]([C@H](C)O)[C@H](CO)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O6/c1-15(23)21(27-14-17-6-10-19(25-3)11-7-17)20(12-22)26-13-16-4-8-18(24-2)9-5-16/h4-11,15,20-23H,12-14H2,1-3H3/t15-,20-,21-/m0/s1
InChIKeyUTISFDWDMBOBKJ-JHVJFLLYSA-N
XLogP2.55
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-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,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)hept-6-ene-1,4-diol
CID 72976602
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(2R,3R)-2-[(4-methoxyphenyl)methoxy]-7-methyloct-6-ene-1,3-diol
CID 71425675
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
(2R,3S,4S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylhept-5-yn-1-ol
CID 102590404
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712
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
(2R,3S,4R)-7,7-dimethoxy-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptan-1-ol
CID 11667279
1-[[(2S)-1-iodo-3-methylbutan-2-yl]oxymethyl]-4-methoxybenzene
CID 101441058

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol?
The IUPAC name of (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol (CID 121460426) is (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol.
What is the SMILES notation for (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol?
The canonical SMILES for (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol is COc1ccc(CO[C@@H]([C@H](C)O)[C@H](CO)OCc2ccc(OC)cc2)cc1.
What is the InChIKey of (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol?
The InChIKey is UTISFDWDMBOBKJ-JHVJFLLYSA-N. The full InChI is InChI=1S/C21H28O6/c1-15(23)21(27-14-17-6-10-19(25-3)11-7-17)20(12-22)26-13-16-4-8-18(24-2)9-5-16/h4-11,15,20-23H,12-14H2,1-3H3/t15-,20-,21-/m0/s1.
What are the key properties of (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol?
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol has a molecular weight of 376.45 g/mol, XLogP of 2.55, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol is sourced from PubChem (CID 121460426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).