CID 143016895

C8H9O2 — CID 143016895

IUPAC—
SMILESCC1=CC=C[C]2OCOC21
InChIInChI=1S/C8H9O2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-4,8H,5H2,1H3
InChIKeyMBNOVXHQUSXWEQ-UHFFFAOYSA-N
MW137.16 g/mol
LogP1.41
Rot. Bonds

About CID 143016895

CID 143016895 (PubChem CID 143016895) has the molecular formula C8H9O2 and a molecular weight of 137.16 g/mol.

Molecular Properties

Compound NameCID 143016895
PubChem CID143016895
Molecular FormulaC8H9O2
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name—
SMILESCC1=CC=C[C]2OCOC21
InChIInChI=1S/C8H9O2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-4,8H,5H2,1H3
InChIKeyMBNOVXHQUSXWEQ-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 143016895 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 143016895?
The IUPAC name of CID 143016895 (CID 143016895) is not available.
What is the SMILES notation for CID 143016895?
The canonical SMILES for CID 143016895 is CC1=CC=C[C]2OCOC21.
What is the InChIKey of CID 143016895?
The InChIKey is MBNOVXHQUSXWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-4,8H,5H2,1H3.
What are the key properties of CID 143016895?
CID 143016895 has a molecular weight of 137.16 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143016895 is sourced from PubChem (CID 143016895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).