CID 176900268

C14H19BO2P — CID 176900268

IUPAC—
SMILESCC(C)(C)[B]Pc1c2c(cc3c1OCC3)CCO2
InChIInChI=1S/C14H19BO2P/c1-14(2,3)15-18-13-11-9(4-6-16-11)8-10-5-7-17-12(10)13/h8,18H,4-7H2,1-3H3
InChIKeyMLIZQQVKIPFSJR-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.70
Rot. Bonds2

About CID 176900268

CID 176900268 (PubChem CID 176900268) has the molecular formula C14H19BO2P and a molecular weight of 261.09 g/mol.

Molecular Properties

Compound NameCID 176900268
PubChem CID176900268
Molecular FormulaC14H19BO2P
Molecular Weight261.09 g/mol
Exact Mass261.12
IUPAC Name—
SMILESCC(C)(C)[B]Pc1c2c(cc3c1OCC3)CCO2
InChIInChI=1S/C14H19BO2P/c1-14(2,3)15-18-13-11-9(4-6-16-11)8-10-5-7-17-12(10)13/h8,18H,4-7H2,1-3H3
InChIKeyMLIZQQVKIPFSJR-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 176900268 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane
CID 126626420
2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117282534
methyl-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)phosphane
CID 143317684
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990
2,3,6,7-tetrahydrofuro[3,2-g][1]benzofuran-4-sulfonyl chloride
CID 84710258
ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
CID 177214189
5,7-difluoro-2,3-dihydro-1-benzofuran
CID 2736964
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,3,3-trimethylbutan-2-ol
CID 113403469
N-[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
CID 113403564
4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 116986341
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543

Frequently Asked Questions

What is the IUPAC name of CID 176900268?
The IUPAC name of CID 176900268 (CID 176900268) is not available.
What is the SMILES notation for CID 176900268?
The canonical SMILES for CID 176900268 is CC(C)(C)[B]Pc1c2c(cc3c1OCC3)CCO2.
What is the InChIKey of CID 176900268?
The InChIKey is MLIZQQVKIPFSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BO2P/c1-14(2,3)15-18-13-11-9(4-6-16-11)8-10-5-7-17-12(10)13/h8,18H,4-7H2,1-3H3.
What are the key properties of CID 176900268?
CID 176900268 has a molecular weight of 261.09 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176900268 is sourced from PubChem (CID 176900268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).