CID 163836997

C12H10IO- — CID 163836997

IUPAC—
SMILESCC(=O)c1ccc2c(c1)C=C[I-]C=C2
InChIInChI=1S/C12H10IO/c1-9(14)11-3-2-10-4-6-13-7-5-12(10)8-11/h2-8H,1H3/q-1
InChIKeyPFPPNYUVOAQPFT-UHFFFAOYSA-N
MW297.12 g/mol
LogP-0.07
Rot. Bonds1

About CID 163836997

CID 163836997 (PubChem CID 163836997) has the molecular formula C12H10IO- and a molecular weight of 297.12 g/mol.

Molecular Properties

Compound NameCID 163836997
PubChem CID163836997
Molecular FormulaC12H10IO-
Molecular Weight297.12 g/mol
Exact Mass296.98
IUPAC Name—
SMILESCC(=O)c1ccc2c(c1)C=C[I-]C=C2
InChIInChI=1S/C12H10IO/c1-9(14)11-3-2-10-4-6-13-7-5-12(10)8-11/h2-8H,1H3/q-1
InChIKeyPFPPNYUVOAQPFT-UHFFFAOYSA-N
XLogP-0.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-inden-5-yl)ethanone;hydrochloride
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1-(1,1-dioxo-1-benzothiophen-5-yl)ethanone
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1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-hydroxyphenyl)(211C)ethanone
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1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
(5-acetyl-2-hydroxyphenyl)astatine
CID 177043145
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone
CID 143618771
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1-[3,4-bis(sulfanyl)phenyl]ethanone
CID 158371144
1-(3-hydroxy-2,2-dimethylchromen-6-yl)ethanone
CID 132605380

Frequently Asked Questions

What is the IUPAC name of CID 163836997?
The IUPAC name of CID 163836997 (CID 163836997) is not available.
What is the SMILES notation for CID 163836997?
The canonical SMILES for CID 163836997 is CC(=O)c1ccc2c(c1)C=C[I-]C=C2.
What is the InChIKey of CID 163836997?
The InChIKey is PFPPNYUVOAQPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IO/c1-9(14)11-3-2-10-4-6-13-7-5-12(10)8-11/h2-8H,1H3/q-1.
What are the key properties of CID 163836997?
CID 163836997 has a molecular weight of 297.12 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163836997 is sourced from PubChem (CID 163836997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).