5-phenylpentane-1,2,5-triol

C11H16O3 — CID 82849671

IUPAC5-phenylpentane-1,2,5-triol
SMILESOCC(O)CCC(O)c1ccccc1
InChIInChI=1S/C11H16O3/c12-8-10(13)6-7-11(14)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyOJQHHSRMBDBYMK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.85
Rot. Bonds5

About 5-phenylpentane-1,2,5-triol

5-phenylpentane-1,2,5-triol (PubChem CID 82849671) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-phenylpentane-1,2,5-triol.

Molecular Properties

Compound Name5-phenylpentane-1,2,5-triol
PubChem CID82849671
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name5-phenylpentane-1,2,5-triol
SMILESOCC(O)CCC(O)c1ccccc1
InChIInChI=1S/C11H16O3/c12-8-10(13)6-7-11(14)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyOJQHHSRMBDBYMK-UHFFFAOYSA-N
XLogP0.85
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-phenylpropane-1,3-diol;hydrobromide
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(1R)-1,3-diphenylpropan-1-ol
CID 11845542
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
(1S)-1-phenylpentan-1-ol
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4-methoxy-4-methyl-1-phenylpentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 5-phenylpentane-1,2,5-triol?
The IUPAC name of 5-phenylpentane-1,2,5-triol (CID 82849671) is 5-phenylpentane-1,2,5-triol.
What is the SMILES notation for 5-phenylpentane-1,2,5-triol?
The canonical SMILES for 5-phenylpentane-1,2,5-triol is OCC(O)CCC(O)c1ccccc1.
What is the InChIKey of 5-phenylpentane-1,2,5-triol?
The InChIKey is OJQHHSRMBDBYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-8-10(13)6-7-11(14)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2.
What are the key properties of 5-phenylpentane-1,2,5-triol?
5-phenylpentane-1,2,5-triol has a molecular weight of 196.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentane-1,2,5-triol is sourced from PubChem (CID 82849671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).