CID 88514850

C17H17B — CID 88514850

IUPAC—
SMILES[B]CC=C(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C17H17B/c1-13-7-3-5-9-15(13)17(11-12-18)16-10-6-4-8-14(16)2/h3-11H,12H2,1-2H3
InChIKeyQWWFBBLPAYTXSQ-UHFFFAOYSA-N
MW232.13 g/mol
LogP4.32
Rot. Bonds3

About CID 88514850

CID 88514850 (PubChem CID 88514850) has the molecular formula C17H17B and a molecular weight of 232.13 g/mol.

Molecular Properties

Compound NameCID 88514850
PubChem CID88514850
Molecular FormulaC17H17B
Molecular Weight232.13 g/mol
Exact Mass232.14
IUPAC Name—
SMILES[B]CC=C(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C17H17B/c1-13-7-3-5-9-15(13)17(11-12-18)16-10-6-4-8-14(16)2/h3-11H,12H2,1-2H3
InChIKeyQWWFBBLPAYTXSQ-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 54.32
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

3-(2-methylphenyl)-3-phenylprop-2-en-1-amine
CID 131859830
1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405
(Z)-1-(2-methylphenyl)prop-1-ene-1,3-diamine
CID 129268082
1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene
CID 21440630
1,4-dimethyl-2-[1-(2-methylphenyl)prop-1-enyl]benzene
CID 90922065
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
CID 54424619
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
CID 143750255
(Z)-N,N-dimethyl-3-(2-methylphenyl)pent-3-en-1-amine
CID 167306993
ethane;(E)-2-(2-methylphenyl)but-2-enal
CID 143157071
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655

Frequently Asked Questions

What is the IUPAC name of CID 88514850?
The IUPAC name of CID 88514850 (CID 88514850) is not available.
What is the SMILES notation for CID 88514850?
The canonical SMILES for CID 88514850 is [B]CC=C(c1ccccc1C)c1ccccc1C.
What is the InChIKey of CID 88514850?
The InChIKey is QWWFBBLPAYTXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17B/c1-13-7-3-5-9-15(13)17(11-12-18)16-10-6-4-8-14(16)2/h3-11H,12H2,1-2H3.
What are the key properties of CID 88514850?
CID 88514850 has a molecular weight of 232.13 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88514850 is sourced from PubChem (CID 88514850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).