(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol

C9H12O4 — CID 141239504

IUPAC(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
SMILESOCC(O)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2/t8?,9-/m0/s1
InChIKeyDGMSJCVOBYTYTE-GKAPJAKFSA-N
MW184.19 g/mol
LogP-0.22
Rot. Bonds3

About (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol

(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol (PubChem CID 141239504) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
PubChem CID141239504
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
SMILESOCC(O)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2/t8?,9-/m0/s1
InChIKeyDGMSJCVOBYTYTE-GKAPJAKFSA-N
XLogP-0.22
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-1-(4-hydroxyphenyl)propane-1,2-diol
CID 162349316
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513
1-(4-amino-3-hydroxyphenyl)propane-1,2,3-triol
CID 170817629
N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide
CID 168654124
(2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 162929249
2-(tert-butylamino)-1-(4-hydroxyphenyl)propane-1,3-diol
CID 139880051
(2S,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 91558064
(E,2S,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 15558522
4-oxo-4-[4-(1,2,3-trihydroxypropyl)phenyl]butanoic acid
CID 170818789
1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol
CID 170817493
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
1-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]propane-1,2,3-triol
CID 168637818

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol?
The IUPAC name of (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol (CID 141239504) is (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol?
The canonical SMILES for (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol is OCC(O)[C@@H](O)c1ccc(O)cc1.
What is the InChIKey of (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol?
The InChIKey is DGMSJCVOBYTYTE-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2/t8?,9-/m0/s1.
What are the key properties of (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol?
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol has a molecular weight of 184.19 g/mol, XLogP of -0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 141239504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).