CID 175499515

C14H12BiO3 — CID 175499515

IUPAC—
SMILESCOc1ccc(C(=O)c2ccccc2)c(O)c1.[Bi]
InChIInChI=1S/C14H12O3.Bi/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;/h2-9,15H,1H3;
InChIKeyPPRMPPMTVPAGBJ-UHFFFAOYSA-N
MW437.23 g/mol
LogP2.25
Rot. Bonds3

About CID 175499515

CID 175499515 (PubChem CID 175499515) has the molecular formula C14H12BiO3 and a molecular weight of 437.23 g/mol.

Molecular Properties

Compound NameCID 175499515
PubChem CID175499515
Molecular FormulaC14H12BiO3
Molecular Weight437.23 g/mol
Exact Mass437.06
IUPAC Name—
SMILESCOc1ccc(C(=O)c2ccccc2)c(O)c1.[Bi]
InChIInChI=1S/C14H12O3.Bi/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;/h2-9,15H,1H3;
InChIKeyPPRMPPMTVPAGBJ-UHFFFAOYSA-N
XLogP2.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175499515?
The IUPAC name of CID 175499515 (CID 175499515) is not available.
What is the SMILES notation for CID 175499515?
The canonical SMILES for CID 175499515 is COc1ccc(C(=O)c2ccccc2)c(O)c1.[Bi].
What is the InChIKey of CID 175499515?
The InChIKey is PPRMPPMTVPAGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.Bi/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;/h2-9,15H,1H3;.
What are the key properties of CID 175499515?
CID 175499515 has a molecular weight of 437.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175499515 is sourced from PubChem (CID 175499515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).