CID 101448364

C12H13 — CID 101448364

IUPAC—
SMILES[CH2]CCC=C=Cc1ccccc1
InChIInChI=1S/C12H13/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-5,7-11H,1-3H2
InChIKeyGLBFTEHYHARMFX-UHFFFAOYSA-N
MW157.24 g/mol
LogP3.47
Rot. Bonds3

About CID 101448364

CID 101448364 (PubChem CID 101448364) has the molecular formula C12H13 and a molecular weight of 157.24 g/mol.

Molecular Properties

Compound NameCID 101448364
PubChem CID101448364
Molecular FormulaC12H13
Molecular Weight157.24 g/mol
Exact Mass157.10
IUPAC Name—
SMILES[CH2]CCC=C=Cc1ccccc1
InChIInChI=1S/C12H13/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-5,7-11H,1-3H2
InChIKeyGLBFTEHYHARMFX-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethyl 6-phenylhexa-4,5-dienyl carbonate
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CID 101460715
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CID 176540019
1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene
CID 71560134
3-phenylpropa-1,2-dienyl thiocyanate
CID 10821101
sodium 3-phenylpropa-1,2-diene-1-sulfonate
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3-(benzenesulfinyl)propa-1,2-dienylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 101448364?
The IUPAC name of CID 101448364 (CID 101448364) is not available.
What is the SMILES notation for CID 101448364?
The canonical SMILES for CID 101448364 is [CH2]CCC=C=Cc1ccccc1.
What is the InChIKey of CID 101448364?
The InChIKey is GLBFTEHYHARMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-5,7-11H,1-3H2.
What are the key properties of CID 101448364?
CID 101448364 has a molecular weight of 157.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101448364 is sourced from PubChem (CID 101448364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).