2-carbazol-9-ylethylphosphonic acid

C14H14NO3P — CID 154704302

IUPAC2-carbazol-9-ylethylphosphonic acid
SMILESO=P(O)(O)CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C14H14NO3P/c16-19(17,18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8H,9-10H2,(H2,16,17,18)
InChIKeyKIMPAVBWSFLENS-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.97
Rot. Bonds3

About 2-carbazol-9-ylethylphosphonic acid

2-carbazol-9-ylethylphosphonic acid (PubChem CID 154704302) has the molecular formula C14H14NO3P and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-carbazol-9-ylethylphosphonic acid.

Molecular Properties

Compound Name2-carbazol-9-ylethylphosphonic acid
PubChem CID154704302
Molecular FormulaC14H14NO3P
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-carbazol-9-ylethylphosphonic acid
SMILESO=P(O)(O)CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C14H14NO3P/c16-19(17,18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8H,9-10H2,(H2,16,17,18)
InChIKeyKIMPAVBWSFLENS-UHFFFAOYSA-N
XLogP2.97
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-carbazol-9-yl-2-deuterioethyl)phosphonic acid
CID 175914525
4-carbazol-9-ylbutane-1-sulfonic acid
CID 87202884
9-(3-chloropropyl)carbazole
CID 14737436
9-(4-methylpentyl)carbazole
CID 153073309
4-carbazol-9-yl-2-(methylamino)butanoic acid
CID 63038805
4-(3,6-diiodocarbazol-9-yl)butylphosphonic acid
CID 175561816
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
5-carbazol-9-yl-2-methylidenepentanoic acid
CID 67001914
2-[4-(2-carbazol-9-ylethyl)piperazin-1-yl]ethanol
CID 137460079
carbazol-9-ylmethylphosphane
CID 90324544
9-(6-chlorohexyl)carbazole
CID 63465812
9-hexadecylcarbazole
CID 4166588

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-ylethylphosphonic acid?
The IUPAC name of 2-carbazol-9-ylethylphosphonic acid (CID 154704302) is 2-carbazol-9-ylethylphosphonic acid.
What is the SMILES notation for 2-carbazol-9-ylethylphosphonic acid?
The canonical SMILES for 2-carbazol-9-ylethylphosphonic acid is O=P(O)(O)CCn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-ylethylphosphonic acid?
The InChIKey is KIMPAVBWSFLENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO3P/c16-19(17,18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8H,9-10H2,(H2,16,17,18).
What are the key properties of 2-carbazol-9-ylethylphosphonic acid?
2-carbazol-9-ylethylphosphonic acid has a molecular weight of 275.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-ylethylphosphonic acid is sourced from PubChem (CID 154704302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).