CID 10427809

C14H11O3 — CID 10427809

IUPAC—
SMILESO=C1C=C([C]2[CH][CH][CH][CH]2)C(=O)C2=C1OCCC2
InChIInChI=1S/C14H11O3/c15-12-8-11(9-4-1-2-5-9)13(16)10-6-3-7-17-14(10)12/h1-2,4-5,8H,3,6-7H2
InChIKeyZYZSVZGXSRHIIU-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.53
Rot. Bonds1

About CID 10427809

CID 10427809 (PubChem CID 10427809) has the molecular formula C14H11O3 and a molecular weight of 227.24 g/mol.

Molecular Properties

Compound NameCID 10427809
PubChem CID10427809
Molecular FormulaC14H11O3
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name—
SMILESO=C1C=C([C]2[CH][CH][CH][CH]2)C(=O)C2=C1OCCC2
InChIInChI=1S/C14H11O3/c15-12-8-11(9-4-1-2-5-9)13(16)10-6-3-7-17-14(10)12/h1-2,4-5,8H,3,6-7H2
InChIKeyZYZSVZGXSRHIIU-UHFFFAOYSA-N
XLogP1.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10427809?
The IUPAC name of CID 10427809 (CID 10427809) is not available.
What is the SMILES notation for CID 10427809?
The canonical SMILES for CID 10427809 is O=C1C=C([C]2[CH][CH][CH][CH]2)C(=O)C2=C1OCCC2.
What is the InChIKey of CID 10427809?
The InChIKey is ZYZSVZGXSRHIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O3/c15-12-8-11(9-4-1-2-5-9)13(16)10-6-3-7-17-14(10)12/h1-2,4-5,8H,3,6-7H2.
What are the key properties of CID 10427809?
CID 10427809 has a molecular weight of 227.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10427809 is sourced from PubChem (CID 10427809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).