(3S,4R)-5-phenylpentane-1,3,4-triol

C11H16O3 — CID 118708003

IUPAC(3S,4R)-5-phenylpentane-1,3,4-triol
SMILESOCC[C@H](O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C11H16O3/c12-7-6-10(13)11(14)8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+/m0/s1
InChIKeyNBMFDNRJHLWVHY-WDEREUQCSA-N
MW196.25 g/mol
LogP0.33
Rot. Bonds5

About (3S,4R)-5-phenylpentane-1,3,4-triol

(3S,4R)-5-phenylpentane-1,3,4-triol (PubChem CID 118708003) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3S,4R)-5-phenylpentane-1,3,4-triol.

Molecular Properties

Compound Name(3S,4R)-5-phenylpentane-1,3,4-triol
PubChem CID118708003
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(3S,4R)-5-phenylpentane-1,3,4-triol
SMILESOCC[C@H](O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C11H16O3/c12-7-6-10(13)11(14)8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+/m0/s1
InChIKeyNBMFDNRJHLWVHY-WDEREUQCSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylhexane-2,3-diol
CID 68731092
5-(3-hydroxyphenyl)pentane-1,3,4-triol
CID 175541454
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
1,6-diphenylhexane-2,5-diol
CID 15072586
2-nitro-4-phenylbutane-1,3-diol
CID 174640463
3-benzylhexa-4,5-dien-1-ol
CID 132552069
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
3-amino-1-(4-hydroxybutan-2-ylsulfanyl)-4-phenylbutan-2-ol
CID 66139079
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
[(2R,3R)-2,3-dihydroxy-4-phenylbutyl] acetate
CID 10585224
3-methyl-1-phenylpentane-2,4-diol
CID 59748553

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-5-phenylpentane-1,3,4-triol?
The IUPAC name of (3S,4R)-5-phenylpentane-1,3,4-triol (CID 118708003) is (3S,4R)-5-phenylpentane-1,3,4-triol.
What is the SMILES notation for (3S,4R)-5-phenylpentane-1,3,4-triol?
The canonical SMILES for (3S,4R)-5-phenylpentane-1,3,4-triol is OCC[C@H](O)[C@H](O)Cc1ccccc1.
What is the InChIKey of (3S,4R)-5-phenylpentane-1,3,4-triol?
The InChIKey is NBMFDNRJHLWVHY-WDEREUQCSA-N. The full InChI is InChI=1S/C11H16O3/c12-7-6-10(13)11(14)8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-5-phenylpentane-1,3,4-triol?
(3S,4R)-5-phenylpentane-1,3,4-triol has a molecular weight of 196.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-5-phenylpentane-1,3,4-triol is sourced from PubChem (CID 118708003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).