CID 57459210

C10H11O2 — CID 57459210

IUPAC—
SMILESCCOC(=O)Cc1cc[c]cc1
InChIInChI=1S/C10H11O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h4-7H,2,8H2,1H3
InChIKeyDWDAYSUMCIQVHK-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.59
Rot. Bonds3

About CID 57459210

CID 57459210 (PubChem CID 57459210) has the molecular formula C10H11O2 and a molecular weight of 163.20 g/mol.

Molecular Properties

Compound NameCID 57459210
PubChem CID57459210
Molecular FormulaC10H11O2
Molecular Weight163.20 g/mol
Exact Mass163.08
IUPAC Name—
SMILESCCOC(=O)Cc1cc[c]cc1
InChIInChI=1S/C10H11O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h4-7H,2,8H2,1H3
InChIKeyDWDAYSUMCIQVHK-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 57459210?
The IUPAC name of CID 57459210 (CID 57459210) is not available.
What is the SMILES notation for CID 57459210?
The canonical SMILES for CID 57459210 is CCOC(=O)Cc1cc[c]cc1.
What is the InChIKey of CID 57459210?
The InChIKey is DWDAYSUMCIQVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h4-7H,2,8H2,1H3.
What are the key properties of CID 57459210?
CID 57459210 has a molecular weight of 163.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57459210 is sourced from PubChem (CID 57459210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).