CID 162473874

C11H14ClO2 — CID 162473874

IUPAC—
SMILESCOCC(CCl)[C@@H]([O])c1ccccc1
InChIInChI=1S/C11H14ClO2/c1-14-8-10(7-12)11(13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10?,11-/m0/s1
InChIKeyJINDMIOATODXAZ-DTIOYNMSSA-N
MW213.68 g/mol
LogP2.66
Rot. Bonds5

About CID 162473874

CID 162473874 (PubChem CID 162473874) has the molecular formula C11H14ClO2 and a molecular weight of 213.68 g/mol.

Molecular Properties

Compound NameCID 162473874
PubChem CID162473874
Molecular FormulaC11H14ClO2
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name—
SMILESCOCC(CCl)[C@@H]([O])c1ccccc1
InChIInChI=1S/C11H14ClO2/c1-14-8-10(7-12)11(13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10?,11-/m0/s1
InChIKeyJINDMIOATODXAZ-DTIOYNMSSA-N
XLogP2.66
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162473874?
The IUPAC name of CID 162473874 (CID 162473874) is not available.
What is the SMILES notation for CID 162473874?
The canonical SMILES for CID 162473874 is COCC(CCl)[C@@H]([O])c1ccccc1.
What is the InChIKey of CID 162473874?
The InChIKey is JINDMIOATODXAZ-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H14ClO2/c1-14-8-10(7-12)11(13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10?,11-/m0/s1.
What are the key properties of CID 162473874?
CID 162473874 has a molecular weight of 213.68 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162473874 is sourced from PubChem (CID 162473874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).