CID 156796190

C14H14IO- — CID 156796190

IUPAC—
SMILESCc1ccccc1OCC1=C[I-]C=CC=C1
InChIInChI=1S/C14H14IO/c1-12-6-2-3-8-14(12)16-11-13-7-4-5-9-15-10-13/h2-10H,11H2,1H3/q-1
InChIKeyAHXGEIABPAGEHD-UHFFFAOYSA-N
MW325.17 g/mol
LogP0.43
Rot. Bonds3

About CID 156796190

CID 156796190 (PubChem CID 156796190) has the molecular formula C14H14IO- and a molecular weight of 325.17 g/mol.

Molecular Properties

Compound NameCID 156796190
PubChem CID156796190
Molecular FormulaC14H14IO-
Molecular Weight325.17 g/mol
Exact Mass325.01
IUPAC Name—
SMILESCc1ccccc1OCC1=C[I-]C=CC=C1
InChIInChI=1S/C14H14IO/c1-12-6-2-3-8-14(12)16-11-13-7-4-5-9-15-10-13/h2-10H,11H2,1H3/q-1
InChIKeyAHXGEIABPAGEHD-UHFFFAOYSA-N
XLogP0.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 50.43
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

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CID 59416571
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CID 60773432
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
[4-methyl-6-[(2-methylphenoxy)methyl]-1,3,5-triazin-2-yl]methanamine
CID 82478497
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Frequently Asked Questions

What is the IUPAC name of CID 156796190?
The IUPAC name of CID 156796190 (CID 156796190) is not available.
What is the SMILES notation for CID 156796190?
The canonical SMILES for CID 156796190 is Cc1ccccc1OCC1=C[I-]C=CC=C1.
What is the InChIKey of CID 156796190?
The InChIKey is AHXGEIABPAGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IO/c1-12-6-2-3-8-14(12)16-11-13-7-4-5-9-15-10-13/h2-10H,11H2,1H3/q-1.
What are the key properties of CID 156796190?
CID 156796190 has a molecular weight of 325.17 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156796190 is sourced from PubChem (CID 156796190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).