CID 20577144

C18H19B — CID 20577144

IUPAC—
SMILES[B]c1ccc(CC2CCCC2c2ccccc2)cc1
InChIInChI=1S/C18H19B/c19-17-11-9-14(10-12-17)13-16-7-4-8-18(16)15-5-2-1-3-6-15/h1-3,5-6,9-12,16,18H,4,7-8,13H2
InChIKeyYWWSPGZCIYMLOG-UHFFFAOYSA-N
MW246.16 g/mol
LogP3.61
Rot. Bonds3

About CID 20577144

CID 20577144 (PubChem CID 20577144) has the molecular formula C18H19B and a molecular weight of 246.16 g/mol.

Molecular Properties

Compound NameCID 20577144
PubChem CID20577144
Molecular FormulaC18H19B
Molecular Weight246.16 g/mol
Exact Mass246.16
IUPAC Name—
SMILES[B]c1ccc(CC2CCCC2c2ccccc2)cc1
InChIInChI=1S/C18H19B/c19-17-11-9-14(10-12-17)13-16-7-4-8-18(16)15-5-2-1-3-6-15/h1-3,5-6,9-12,16,18H,4,7-8,13H2
InChIKeyYWWSPGZCIYMLOG-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 53.61
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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[(1S,2R)-2-prop-2-enylcyclohexyl]benzene
CID 101198941
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
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4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
trimethyl-[(2-phenylcyclohexyl)methoxy]silane
CID 144768157
(2-methylcyclopentyl)benzene
CID 12600454
CID 162338619
CID 162338619
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917

Frequently Asked Questions

What is the IUPAC name of CID 20577144?
The IUPAC name of CID 20577144 (CID 20577144) is not available.
What is the SMILES notation for CID 20577144?
The canonical SMILES for CID 20577144 is [B]c1ccc(CC2CCCC2c2ccccc2)cc1.
What is the InChIKey of CID 20577144?
The InChIKey is YWWSPGZCIYMLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19B/c19-17-11-9-14(10-12-17)13-16-7-4-8-18(16)15-5-2-1-3-6-15/h1-3,5-6,9-12,16,18H,4,7-8,13H2.
What are the key properties of CID 20577144?
CID 20577144 has a molecular weight of 246.16 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20577144 is sourced from PubChem (CID 20577144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).