CID 136763086

C14H16B — CID 136763086

IUPAC—
SMILES[B]1C[C@H]2C=C(c3ccccc3)C[C@@H](C1)C2
InChIInChI=1S/C14H16B/c1-2-4-13(5-3-1)14-7-11-6-12(8-14)10-15-9-11/h1-5,7,11-12H,6,8-10H2/t11-,12+/m1/s1
InChIKeyWHGKTCFVHAFLJI-NEPJUHHUSA-N
MW195.09 g/mol
LogP3.65
Rot. Bonds1

About CID 136763086

CID 136763086 (PubChem CID 136763086) has the molecular formula C14H16B and a molecular weight of 195.09 g/mol.

Molecular Properties

Compound NameCID 136763086
PubChem CID136763086
Molecular FormulaC14H16B
Molecular Weight195.09 g/mol
Exact Mass195.13
IUPAC Name—
SMILES[B]1C[C@H]2C=C(c3ccccc3)C[C@@H](C1)C2
InChIInChI=1S/C14H16B/c1-2-4-13(5-3-1)14-7-11-6-12(8-14)10-15-9-11/h1-5,7,11-12H,6,8-10H2/t11-,12+/m1/s1
InChIKeyWHGKTCFVHAFLJI-NEPJUHHUSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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4-phenylcyclopent-3-ene-1,2-diol
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(1S)-5-amino-3-phenylcyclohex-2-en-1-ol
CID 174581206
(1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene
CID 102028127
(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
CID 92980020
(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene
CID 102075089
3,5-difluoro-1-phenylcyclohexa-1,3-diene
CID 66693994
3-phenylcyclohept-2-en-1-ol
CID 15145996
(1S)-3-phenylcyclohept-2-en-1-ol
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(1R)-3-phenylcyclohept-2-en-1-ol
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2-methyl-5-phenyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CID 118260991

Frequently Asked Questions

What is the IUPAC name of CID 136763086?
The IUPAC name of CID 136763086 (CID 136763086) is not available.
What is the SMILES notation for CID 136763086?
The canonical SMILES for CID 136763086 is [B]1C[C@H]2C=C(c3ccccc3)C[C@@H](C1)C2.
What is the InChIKey of CID 136763086?
The InChIKey is WHGKTCFVHAFLJI-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H16B/c1-2-4-13(5-3-1)14-7-11-6-12(8-14)10-15-9-11/h1-5,7,11-12H,6,8-10H2/t11-,12+/m1/s1.
What are the key properties of CID 136763086?
CID 136763086 has a molecular weight of 195.09 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136763086 is sourced from PubChem (CID 136763086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).