1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol

C10H14O4 — CID 170817493

IUPAC1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol
SMILESCc1cc(O)cc(C(O)C(O)CO)c1
InChIInChI=1S/C10H14O4/c1-6-2-7(4-8(12)3-6)10(14)9(13)5-11/h2-4,9-14H,5H2,1H3
InChIKeyDDZIVBYVPGSLRO-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.09
Rot. Bonds3

About 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol

1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol (PubChem CID 170817493) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol
PubChem CID170817493
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol
SMILESCc1cc(O)cc(C(O)C(O)CO)c1
InChIInChI=1S/C10H14O4/c1-6-2-7(4-8(12)3-6)10(14)9(13)5-11/h2-4,9-14H,5H2,1H3
InChIKeyDDZIVBYVPGSLRO-UHFFFAOYSA-N
XLogP0.09
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857583
3-(1-amino-2-hydroxyethyl)-5-methylphenol
CID 84765201
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
S-[3,4-dihydroxy-4-(3-hydroxy-5-methylphenyl)butyl] ethanethioate
CID 171875512
ethyl 2,3-dihydroxy-3-(3-hydroxy-5-methylphenyl)propanoate
CID 171865738
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
CID 141239504
CID 175809990
CID 175809990
4-bromo-1-(3,5-dimethylphenyl)butane-1,2-diol
CID 171891556
1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 63894692
1-(3,5-difluorophenyl)propane-1,2,3-triol
CID 170817451
1-(3,4-diamino-5-methylphenyl)propane-1,2,3-triol
CID 170817836
3-(1-aminopropan-2-yl)-5-methylphenol
CID 83694991

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol (CID 170817493) is 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol is Cc1cc(O)cc(C(O)C(O)CO)c1.
What is the InChIKey of 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol?
The InChIKey is DDZIVBYVPGSLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-2-7(4-8(12)3-6)10(14)9(13)5-11/h2-4,9-14H,5H2,1H3.
What are the key properties of 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol?
1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol has a molecular weight of 198.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).