CID 69091197

C14H9O3P — CID 69091197

IUPAC—
SMILESO=C1C=Cc2c(ccc3ccccc23)C1P(=O)=O
InChIInChI=1S/C14H9O3P/c15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)18(16)17/h1-8,14H
InChIKeyPQVNXFPLRBLLPY-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.65
Rot. Bonds1

About CID 69091197

CID 69091197 (PubChem CID 69091197) has the molecular formula C14H9O3P and a molecular weight of 256.20 g/mol.

Molecular Properties

Compound NameCID 69091197
PubChem CID69091197
Molecular FormulaC14H9O3P
Molecular Weight256.20 g/mol
Exact Mass256.03
IUPAC Name—
SMILESO=C1C=Cc2c(ccc3ccccc23)C1P(=O)=O
InChIInChI=1S/C14H9O3P/c15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)18(16)17/h1-8,14H
InChIKeyPQVNXFPLRBLLPY-UHFFFAOYSA-N
XLogP3.65
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

14H-cyclopenta[a]phenanthrene
CID 18702387
phenanthrene-1,2-dione;hydrate
CID 175517236
bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485886
bis[(3R)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485885
(3R)-3-[2-[(3R)-3H-cyclopenta[a]naphthalen-3-yl]propan-2-yl]-3H-cyclopenta[a]naphthalene
CID 101485883
1-(9-tricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,12,14-heptaenyl)-1H-phenanthren-2-one
CID 173172776
N,N-diphenylaniline;phenanthrene-1,2-dione
CID 175592380
11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene
CID 123273491
2-methyl-2H-phenanthren-1-one
CID 154182792
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
3,4,4a,12a-tetrahydro-2H-chrysen-1-one;1H-pyrrole;sulfane
CID 175318489

Frequently Asked Questions

What is the IUPAC name of CID 69091197?
The IUPAC name of CID 69091197 (CID 69091197) is not available.
What is the SMILES notation for CID 69091197?
The canonical SMILES for CID 69091197 is O=C1C=Cc2c(ccc3ccccc23)C1P(=O)=O.
What is the InChIKey of CID 69091197?
The InChIKey is PQVNXFPLRBLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9O3P/c15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)18(16)17/h1-8,14H.
What are the key properties of CID 69091197?
CID 69091197 has a molecular weight of 256.20 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69091197 is sourced from PubChem (CID 69091197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).