CID 174825448

C9H9O2Po — CID 174825448

IUPAC—
SMILESO.O=CC([Po])=Cc1ccccc1
InChIInChI=1S/C9H7O.H2O.Po/c10-8-4-7-9-5-2-1-3-6-9;;/h1-3,5-8H;1H2;
InChIKeyHBBXZQDZURXHEG-UHFFFAOYSA-N
MW358.17 g/mol
LogP0.57
Rot. Bonds2

About CID 174825448

CID 174825448 (PubChem CID 174825448) has the molecular formula C9H9O2Po and a molecular weight of 358.17 g/mol.

Molecular Properties

Compound NameCID 174825448
PubChem CID174825448
Molecular FormulaC9H9O2Po
Molecular Weight358.17 g/mol
Exact Mass358.04
IUPAC Name—
SMILESO.O=CC([Po])=Cc1ccccc1
InChIInChI=1S/C9H7O.H2O.Po/c10-8-4-7-9-5-2-1-3-6-9;;/h1-3,5-8H;1H2;
InChIKeyHBBXZQDZURXHEG-UHFFFAOYSA-N
XLogP0.57
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 174825448 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-phenylprop-2-enal
CID 54285949
benzaldehyde;hydrate
CID 86741597
benzaldehyde;carbonic acid;hydrate
CID 173060917
3-oxo-1-phenylprop-1-ene-2-sulfonic acid
CID 87126626
CID 175911579
CID 175911579
2-(hydroxymethoxy)-3-phenylprop-2-enal
CID 54119868
(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679
2,2-dibromo(113C)ethenylbenzene
CID 131856077
germane;2-hydroxy-3-phenylprop-2-enoic acid
CID 174439173
2-hydroxy-3-phenylprop-2-enoic acid;methane
CID 66953163
2-diethylarsanyl-3-phenylprop-2-enal
CID 87880791

Frequently Asked Questions

What is the IUPAC name of CID 174825448?
The IUPAC name of CID 174825448 (CID 174825448) is not available.
What is the SMILES notation for CID 174825448?
The canonical SMILES for CID 174825448 is O.O=CC([Po])=Cc1ccccc1.
What is the InChIKey of CID 174825448?
The InChIKey is HBBXZQDZURXHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7O.H2O.Po/c10-8-4-7-9-5-2-1-3-6-9;;/h1-3,5-8H;1H2;.
What are the key properties of CID 174825448?
CID 174825448 has a molecular weight of 358.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174825448 is sourced from PubChem (CID 174825448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).