CID 14687696

C14H14O2Sb — CID 14687696

IUPAC—
SMILESCOc1ccc([Sb]c2ccc(OC)cc2)cc1
InChIInChI=1S/2C7H7O.Sb/c2*1-8-7-5-3-2-4-6-7;/h2*3-6H,1H3;
InChIKeyHXTLEDWBUBSLQP-UHFFFAOYSA-N
MW336.02 g/mol
LogP1.36
Rot. Bonds4

About CID 14687696

CID 14687696 (PubChem CID 14687696) has the molecular formula C14H14O2Sb and a molecular weight of 336.02 g/mol.

Molecular Properties

Compound NameCID 14687696
PubChem CID14687696
Molecular FormulaC14H14O2Sb
Molecular Weight336.02 g/mol
Exact Mass335.00
IUPAC Name—
SMILESCOc1ccc([Sb]c2ccc(OC)cc2)cc1
InChIInChI=1S/2C7H7O.Sb/c2*1-8-7-5-3-2-4-6-7;/h2*3-6H,1H3;
InChIKeyHXTLEDWBUBSLQP-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
(4-methoxyphenyl)azanium iodide
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1-(113C)methoxy-4-methylbenzene
CID 166176950
chloro-(4-methoxyphenyl)-methylphosphane
CID 18780199
CID 12607295
CID 12607295
(4-methoxyphenyl)silane
CID 100998160
CID 154175564
CID 154175564
zinc 1-methanidyl-4-methoxybenzene
CID 22139715
tetrakis(4-methoxyphenyl)plumbane
CID 5092827
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
methane;4-methoxyphenol
CID 159494332

Frequently Asked Questions

What is the IUPAC name of CID 14687696?
The IUPAC name of CID 14687696 (CID 14687696) is not available.
What is the SMILES notation for CID 14687696?
The canonical SMILES for CID 14687696 is COc1ccc([Sb]c2ccc(OC)cc2)cc1.
What is the InChIKey of CID 14687696?
The InChIKey is HXTLEDWBUBSLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7O.Sb/c2*1-8-7-5-3-2-4-6-7;/h2*3-6H,1H3;.
What are the key properties of CID 14687696?
CID 14687696 has a molecular weight of 336.02 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14687696 is sourced from PubChem (CID 14687696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).