CID 101387687

C12H14O — CID 101387687

IUPAC—
SMILES[CH]C(/C=C/c1ccccc1C)OC
InChIInChI=1S/C12H14O/c1-10-6-4-5-7-12(10)9-8-11(2)13-3/h2,4-9,11H,1,3H3/b9-8+
InChIKeyXRICDDFASRJSQM-CMDGGOBGSA-N
MW174.24 g/mol
LogP2.73
Rot. Bonds3

About CID 101387687

CID 101387687 (PubChem CID 101387687) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol.

Molecular Properties

Compound NameCID 101387687
PubChem CID101387687
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name—
SMILES[CH]C(/C=C/c1ccccc1C)OC
InChIInChI=1S/C12H14O/c1-10-6-4-5-7-12(10)9-8-11(2)13-3/h2,4-9,11H,1,3H3/b9-8+
InChIKeyXRICDDFASRJSQM-CMDGGOBGSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 101387687?
The IUPAC name of CID 101387687 (CID 101387687) is not available.
What is the SMILES notation for CID 101387687?
The canonical SMILES for CID 101387687 is [CH]C(/C=C/c1ccccc1C)OC.
What is the InChIKey of CID 101387687?
The InChIKey is XRICDDFASRJSQM-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14O/c1-10-6-4-5-7-12(10)9-8-11(2)13-3/h2,4-9,11H,1,3H3/b9-8+.
What are the key properties of CID 101387687?
CID 101387687 has a molecular weight of 174.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101387687 is sourced from PubChem (CID 101387687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).