CID 101344537

C11H12 — CID 101344537

IUPAC—
SMILES[C]1CCC1Cc1ccccc1
InChIInChI=1S/C11H12/c1-2-5-10(6-3-1)9-11-7-4-8-11/h1-3,5-6,11H,4,7,9H2
InChIKeyOFPHXBTUSVAJDQ-UHFFFAOYSA-N
MW144.22 g/mol
LogP2.72
Rot. Bonds2

About CID 101344537

CID 101344537 (PubChem CID 101344537) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol.

Molecular Properties

Compound NameCID 101344537
PubChem CID101344537
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name—
SMILES[C]1CCC1Cc1ccccc1
InChIInChI=1S/C11H12/c1-2-5-10(6-3-1)9-11-7-4-8-11/h1-3,5-6,11H,4,7,9H2
InChIKeyOFPHXBTUSVAJDQ-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 143522605
(2S)-2-benzylpyrrolidin-1-ium
CID 7009381
(2S)-2-benzylazetidine;molecular hydrogen
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(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
(2S,5R)-5-benzyl-2-methylpiperidine
CID 130765176
6-benzylpiperidin-2-ol
CID 163764963

Frequently Asked Questions

What is the IUPAC name of CID 101344537?
The IUPAC name of CID 101344537 (CID 101344537) is not available.
What is the SMILES notation for CID 101344537?
The canonical SMILES for CID 101344537 is [C]1CCC1Cc1ccccc1.
What is the InChIKey of CID 101344537?
The InChIKey is OFPHXBTUSVAJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-2-5-10(6-3-1)9-11-7-4-8-11/h1-3,5-6,11H,4,7,9H2.
What are the key properties of CID 101344537?
CID 101344537 has a molecular weight of 144.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101344537 is sourced from PubChem (CID 101344537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).