CID 174038123

C18H15B — CID 174038123

IUPAC—
SMILES[B][C@H](C)C1Cc2ccccc2C#Cc2ccccc21
InChIInChI=1S/C18H15B/c1-13(19)18-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(15)18/h2-9,13,18H,12H2,1H3/t13-,18?/m1/s1
InChIKeyMCHLLBYPGHSBMZ-YJJYDOSJSA-N
MW242.13 g/mol
LogP3.70
Rot. Bonds1

About CID 174038123

CID 174038123 (PubChem CID 174038123) has the molecular formula C18H15B and a molecular weight of 242.13 g/mol.

Molecular Properties

Compound NameCID 174038123
PubChem CID174038123
Molecular FormulaC18H15B
Molecular Weight242.13 g/mol
Exact Mass242.13
IUPAC Name—
SMILES[B][C@H](C)C1Cc2ccccc2C#Cc2ccccc21
InChIInChI=1S/C18H15B/c1-13(19)18-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(15)18/h2-9,13,18H,12H2,1H3/t13-,18?/m1/s1
InChIKeyMCHLLBYPGHSBMZ-YJJYDOSJSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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7-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyl)heptane-2,5-dione
CID 130295784
(4-methylphenyl) 2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyl carbonate
CID 134386794
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol
CID 115817464
azidomethane;5,14-dimethyl-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene;10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2-yne
CID 162080070
2-[2-[2-[[4-oxo-4-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyl)butanoyl]amino]ethoxy]ethoxy]ethyl dipropan-2-yl phosphate
CID 166039946
9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene
CID 123223913
methane;tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-ol;2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyl 2-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]acetate
CID 158434625

Frequently Asked Questions

What is the IUPAC name of CID 174038123?
The IUPAC name of CID 174038123 (CID 174038123) is not available.
What is the SMILES notation for CID 174038123?
The canonical SMILES for CID 174038123 is [B][C@H](C)C1Cc2ccccc2C#Cc2ccccc21.
What is the InChIKey of CID 174038123?
The InChIKey is MCHLLBYPGHSBMZ-YJJYDOSJSA-N. The full InChI is InChI=1S/C18H15B/c1-13(19)18-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(15)18/h2-9,13,18H,12H2,1H3/t13-,18?/m1/s1.
What are the key properties of CID 174038123?
CID 174038123 has a molecular weight of 242.13 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174038123 is sourced from PubChem (CID 174038123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).