CID 159131095

C15H16B — CID 159131095

IUPAC—
SMILES[B].c1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C15H16.B/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;/h1-6,8-11H,7,12-13H2;
InChIKeyVMGULFNZZQQBEL-UHFFFAOYSA-N
MW207.11 g/mol
LogP3.48
Rot. Bonds4

About CID 159131095

CID 159131095 (PubChem CID 159131095) has the molecular formula C15H16B and a molecular weight of 207.11 g/mol.

Molecular Properties

Compound NameCID 159131095
PubChem CID159131095
Molecular FormulaC15H16B
Molecular Weight207.11 g/mol
Exact Mass207.13
IUPAC Name—
SMILES[B].c1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C15H16.B/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;/h1-6,8-11H,7,12-13H2;
InChIKeyVMGULFNZZQQBEL-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 53.48
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

1,4-bis(3-phenylpropyl)benzene
CID 59467322
4-phenylbutylbenzene
CID 141301927
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
benzene;2-phenylethylbenzene
CID 18982764
butylbenzene
CID 91440396
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
zinc butylbenzene
CID 563257
benzene;3-phenylpropan-1-amine
CID 174865683
pentylbenzene
CID 91255123
hafnium;2-phenylethylbenzene
CID 173109801
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299

Frequently Asked Questions

What is the IUPAC name of CID 159131095?
The IUPAC name of CID 159131095 (CID 159131095) is not available.
What is the SMILES notation for CID 159131095?
The canonical SMILES for CID 159131095 is [B].c1ccc(CCCc2ccccc2)cc1.
What is the InChIKey of CID 159131095?
The InChIKey is VMGULFNZZQQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.B/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;/h1-6,8-11H,7,12-13H2;.
What are the key properties of CID 159131095?
CID 159131095 has a molecular weight of 207.11 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159131095 is sourced from PubChem (CID 159131095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).