5-(3-hydroxyphenyl)pentane-1,3,4-triol

C11H16O4 — CID 175541454

IUPAC5-(3-hydroxyphenyl)pentane-1,3,4-triol
SMILESOCCC(O)C(O)Cc1cccc(O)c1
InChIInChI=1S/C11H16O4/c12-5-4-10(14)11(15)7-8-2-1-3-9(13)6-8/h1-3,6,10-15H,4-5,7H2
InChIKeyDYPPRMWGJWIGMX-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.04
Rot. Bonds5

About 5-(3-hydroxyphenyl)pentane-1,3,4-triol

5-(3-hydroxyphenyl)pentane-1,3,4-triol (PubChem CID 175541454) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)pentane-1,3,4-triol.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)pentane-1,3,4-triol
PubChem CID175541454
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name5-(3-hydroxyphenyl)pentane-1,3,4-triol
SMILESOCCC(O)C(O)Cc1cccc(O)c1
InChIInChI=1S/C11H16O4/c12-5-4-10(14)11(15)7-8-2-1-3-9(13)6-8/h1-3,6,10-15H,4-5,7H2
InChIKeyDYPPRMWGJWIGMX-UHFFFAOYSA-N
XLogP0.04
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-5-phenylpentane-1,3,4-triol
CID 118708003
3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride
CID 70614947
3-(2-fluoro-3-hydroxypropyl)phenol
CID 105434418
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
3-(2-sulfanylpropyl)phenol
CID 115013475
3-[2-(4-aminophenyl)propyl]phenol
CID 70385210
3-[2-(furan-2-yl)-2-hydroxyethyl]phenol
CID 71201493
3-[(2S)-5-(dimethylamino)-2-hydroxypentyl]phenol
CID 163507834
(2S,3S,4S,7S)-3,4-bis[(3-hydroxyphenyl)methyl]octane-2,7-diol;(2S,3R,4R,7S)-3,4-bis[(3-hydroxyphenyl)methyl]octane-2,7-diol
CID 172869203
3-(4-hydroxybutyl)phenol
CID 19991537

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)pentane-1,3,4-triol?
The IUPAC name of 5-(3-hydroxyphenyl)pentane-1,3,4-triol (CID 175541454) is 5-(3-hydroxyphenyl)pentane-1,3,4-triol.
What is the SMILES notation for 5-(3-hydroxyphenyl)pentane-1,3,4-triol?
The canonical SMILES for 5-(3-hydroxyphenyl)pentane-1,3,4-triol is OCCC(O)C(O)Cc1cccc(O)c1.
What is the InChIKey of 5-(3-hydroxyphenyl)pentane-1,3,4-triol?
The InChIKey is DYPPRMWGJWIGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-5-4-10(14)11(15)7-8-2-1-3-9(13)6-8/h1-3,6,10-15H,4-5,7H2.
What are the key properties of 5-(3-hydroxyphenyl)pentane-1,3,4-triol?
5-(3-hydroxyphenyl)pentane-1,3,4-triol has a molecular weight of 212.25 g/mol, XLogP of 0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)pentane-1,3,4-triol is sourced from PubChem (CID 175541454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).