(2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol

C19H26O5 — CID 163004759

IUPAC(2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol
SMILESCCCCc1ccc(CCc2ccc(O)c(OC[C@H](O)CO)c2)o1
InChIInChI=1S/C19H26O5/c1-2-3-4-16-8-9-17(24-16)7-5-14-6-10-18(22)19(11-14)23-13-15(21)12-20/h6,8-11,15,20-22H,2-5,7,12-13H2,1H3/t15-/m1/s1
InChIKeyRMCHXWQOANUNHO-OAHLLOKOSA-N
MW334.41 g/mol
LogP2.85
Rot. Bonds10

About (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol

(2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol (PubChem CID 163004759) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol
PubChem CID163004759
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name(2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol
SMILESCCCCc1ccc(CCc2ccc(O)c(OC[C@H](O)CO)c2)o1
InChIInChI=1S/C19H26O5/c1-2-3-4-16-8-9-17(24-16)7-5-14-6-10-18(22)19(11-14)23-13-15(21)12-20/h6,8-11,15,20-22H,2-5,7,12-13H2,1H3/t15-/m1/s1
InChIKeyRMCHXWQOANUNHO-OAHLLOKOSA-N
XLogP2.85
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-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

4-[2-(5-butylfuran-2-yl)ethyl]-2-[2-hydroxy-2-[4-[3-(2-hydroxypropylamino)-4-(methylamino)butan-2-yl]-1H-pyrrol-2-yl]ethoxy]phenol
CID 162972086
4-[2-[5-butyl-4-(hydroxymethyl)furan-2-yl]ethyl]-2-[2-(ethylamino)-2-(4-propan-2-yl-1H-pyrrol-2-yl)ethoxy]phenol
CID 163080140
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
(2R)-3-(4-pentadecylphenoxy)propane-1,2-diol
CID 95907091
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 45094126
N-tert-butyl-5-butylfuran-2-carboxamide
CID 70989839
ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
CID 156738617
3-(3-butyl-4-methylphenoxy)propane-1,2-diol
CID 57092257
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
1-[7-(2,3-dihydroxypropoxy)-1-benzofuran-2-yl]ethanone
CID 13130644
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
CID 167592723

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol (CID 163004759) is (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol is CCCCc1ccc(CCc2ccc(O)c(OC[C@H](O)CO)c2)o1.
What is the InChIKey of (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol?
The InChIKey is RMCHXWQOANUNHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26O5/c1-2-3-4-16-8-9-17(24-16)7-5-14-6-10-18(22)19(11-14)23-13-15(21)12-20/h6,8-11,15,20-22H,2-5,7,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol?
(2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol has a molecular weight of 334.41 g/mol, XLogP of 2.85, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[5-[2-(5-butylfuran-2-yl)ethyl]-2-hydroxyphenoxy]propane-1,2-diol is sourced from PubChem (CID 163004759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).