CID 12703126

C8H11O — CID 12703126

IUPAC—
SMILESCOC1=CC=C(C)C[CH]1
InChIInChI=1S/C8H11O/c1-7-3-5-8(9-2)6-4-7/h3,5-6H,4H2,1-2H3
InChIKeyPOBNREMHNGBVTJ-UHFFFAOYSA-N
MW123.17 g/mol
LogP2.07
Rot. Bonds1

About CID 12703126

CID 12703126 (PubChem CID 12703126) has the molecular formula C8H11O and a molecular weight of 123.17 g/mol.

Molecular Properties

Compound NameCID 12703126
PubChem CID12703126
Molecular FormulaC8H11O
Molecular Weight123.17 g/mol
Exact Mass123.08
IUPAC Name—
SMILESCOC1=CC=C(C)C[CH]1
InChIInChI=1S/C8H11O/c1-7-3-5-8(9-2)6-4-7/h3,5-6H,4H2,1-2H3
InChIKeyPOBNREMHNGBVTJ-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 12703126?
The IUPAC name of CID 12703126 (CID 12703126) is not available.
What is the SMILES notation for CID 12703126?
The canonical SMILES for CID 12703126 is COC1=CC=C(C)C[CH]1.
What is the InChIKey of CID 12703126?
The InChIKey is POBNREMHNGBVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O/c1-7-3-5-8(9-2)6-4-7/h3,5-6H,4H2,1-2H3.
What are the key properties of CID 12703126?
CID 12703126 has a molecular weight of 123.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12703126 is sourced from PubChem (CID 12703126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).