3-phenylprop-2-ene-1,1-diol

C9H10O2 — CID 54432533

IUPAC3-phenylprop-2-ene-1,1-diol
SMILESOC(O)C=Cc1ccccc1
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7,9-11H
InChIKeyWIMHGKDTXQGFLJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.01
Rot. Bonds2

About 3-phenylprop-2-ene-1,1-diol

3-phenylprop-2-ene-1,1-diol (PubChem CID 54432533) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-phenylprop-2-ene-1,1-diol.

Molecular Properties

Compound Name3-phenylprop-2-ene-1,1-diol
PubChem CID54432533
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-phenylprop-2-ene-1,1-diol
SMILESOC(O)C=Cc1ccccc1
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7,9-11H
InChIKeyWIMHGKDTXQGFLJ-UHFFFAOYSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
1-phenylpent-1-en-4-yn-3-ol
CID 570771
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
CID 11106709
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
sodium (E)-1-hydroxy-3-phenylprop-2-ene-1-sulfonic acid
CID 54600779
2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-ene-1,1-diol?
The IUPAC name of 3-phenylprop-2-ene-1,1-diol (CID 54432533) is 3-phenylprop-2-ene-1,1-diol.
What is the SMILES notation for 3-phenylprop-2-ene-1,1-diol?
The canonical SMILES for 3-phenylprop-2-ene-1,1-diol is OC(O)C=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-ene-1,1-diol?
The InChIKey is WIMHGKDTXQGFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7,9-11H.
What are the key properties of 3-phenylprop-2-ene-1,1-diol?
3-phenylprop-2-ene-1,1-diol has a molecular weight of 150.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-ene-1,1-diol is sourced from PubChem (CID 54432533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).