(Z)-4-phenylbut-3-ene-1,2,3-triol

C10H12O3 — CID 5463840

IUPAC(Z)-4-phenylbut-3-ene-1,2,3-triol
SMILESOCC(O)/C(O)=C/c1ccccc1
InChIInChI=1S/C10H12O3/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-6,10-13H,7H2/b9-6-
InChIKeyFSDPQZPRLPFVLK-TWGQIWQCSA-N
MW180.20 g/mol
LogP0.94
Rot. Bonds3

About (Z)-4-phenylbut-3-ene-1,2,3-triol

(Z)-4-phenylbut-3-ene-1,2,3-triol (PubChem CID 5463840) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (Z)-4-phenylbut-3-ene-1,2,3-triol.

Molecular Properties

Compound Name(Z)-4-phenylbut-3-ene-1,2,3-triol
PubChem CID5463840
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(Z)-4-phenylbut-3-ene-1,2,3-triol
SMILESOCC(O)/C(O)=C/c1ccccc1
InChIInChI=1S/C10H12O3/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-6,10-13H,7H2/b9-6-
InChIKeyFSDPQZPRLPFVLK-TWGQIWQCSA-N
XLogP0.94
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3S,4S,5S,6S)-1,8-diphenylocta-1,7-diene-2,3,4,5,6,7-hexol
CID 68940500
2,3-dihydroxy-4-phenylbut-3-enoic acid
CID 70396355
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
2-phenylethenyl 2,3-dihydroxypropanoate
CID 141412154
3-fluoro-2,4-dihydroxy-5-phenylpent-4-enoic acid
CID 70422301
(3S)-3-(dimethylamino)-1-phenylbut-1-en-2-ol
CID 155453900
(3E)-3-benzylidenepentan-2-ol
CID 135080947
propane-1,2-diol;prop-1-enylbenzene
CID 161072622
(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol
CID 102579772
(Z,3S)-2-bromo-1-phenylhex-1-en-5-yn-3-ol
CID 129385185
2,3-dihydroxy-N-phenylpropanamide;hydrate
CID 141005572
(3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol
CID 66583957

Frequently Asked Questions

What is the IUPAC name of (Z)-4-phenylbut-3-ene-1,2,3-triol?
The IUPAC name of (Z)-4-phenylbut-3-ene-1,2,3-triol (CID 5463840) is (Z)-4-phenylbut-3-ene-1,2,3-triol.
What is the SMILES notation for (Z)-4-phenylbut-3-ene-1,2,3-triol?
The canonical SMILES for (Z)-4-phenylbut-3-ene-1,2,3-triol is OCC(O)/C(O)=C/c1ccccc1.
What is the InChIKey of (Z)-4-phenylbut-3-ene-1,2,3-triol?
The InChIKey is FSDPQZPRLPFVLK-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H12O3/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-6,10-13H,7H2/b9-6-.
What are the key properties of (Z)-4-phenylbut-3-ene-1,2,3-triol?
(Z)-4-phenylbut-3-ene-1,2,3-triol has a molecular weight of 180.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-phenylbut-3-ene-1,2,3-triol is sourced from PubChem (CID 5463840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).