holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one

C17H11HoO3- — CID 164598448

IUPACholmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one
SMILESCOCC#Cc1ccc2c(c1)c(=O)oc1c[c-]ccc12.[Ho]
InChIInChI=1S/C17H11O3.Ho/c1-19-10-4-5-12-8-9-13-14-6-2-3-7-16(14)20-17(18)15(13)11-12;/h2,6-9,11H,10H2,1H3;/q-1;
InChIKeyPBOVGVIUDNYWNP-UHFFFAOYSA-N
MW428.20 g/mol
LogP2.74
Rot. Bonds1

About holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one

holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one (PubChem CID 164598448) has the molecular formula C17H11HoO3- and a molecular weight of 428.20 g/mol. Its IUPAC name is holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one.

Molecular Properties

Compound Nameholmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one
PubChem CID164598448
Molecular FormulaC17H11HoO3-
Molecular Weight428.20 g/mol
Exact Mass428.00
IUPAC Nameholmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one
SMILESCOCC#Cc1ccc2c(c1)c(=O)oc1c[c-]ccc12.[Ho]
InChIInChI=1S/C17H11O3.Ho/c1-19-10-4-5-12-8-9-13-14-6-2-3-7-16(14)20-17(18)15(13)11-12;/h2,6-9,11H,10H2,1H3;/q-1;
InChIKeyPBOVGVIUDNYWNP-UHFFFAOYSA-N
XLogP2.74
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one?
The IUPAC name of holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one (CID 164598448) is holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one.
What is the SMILES notation for holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one?
The canonical SMILES for holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one is COCC#Cc1ccc2c(c1)c(=O)oc1c[c-]ccc12.[Ho].
What is the InChIKey of holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one?
The InChIKey is PBOVGVIUDNYWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11O3.Ho/c1-19-10-4-5-12-8-9-13-14-6-2-3-7-16(14)20-17(18)15(13)11-12;/h2,6-9,11H,10H2,1H3;/q-1;.
What are the key properties of holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one?
holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one has a molecular weight of 428.20 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for holmium;8-(3-methoxyprop-1-ynyl)-3H-benzo[c]chromen-3-id-6-one is sourced from PubChem (CID 164598448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).