(6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid

C7H9O3P — CID 69017472

IUPAC(6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid
SMILESC=C1CC=CC=C1P(=O)(O)O
InChIInChI=1S/C7H9O3P/c1-6-4-2-3-5-7(6)11(8,9)10/h2-3,5H,1,4H2,(H2,8,9,10)
InChIKeyPHZASBYVUAZKSP-UHFFFAOYSA-N
MW172.12 g/mol
LogP1.56
Rot. Bonds1

About (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid

(6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid (PubChem CID 69017472) has the molecular formula C7H9O3P and a molecular weight of 172.12 g/mol. Its IUPAC name is (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid.

Molecular Properties

Compound Name(6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid
PubChem CID69017472
Molecular FormulaC7H9O3P
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Name(6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid
SMILESC=C1CC=CC=C1P(=O)(O)O
InChIInChI=1S/C7H9O3P/c1-6-4-2-3-5-7(6)11(8,9)10/h2-3,5H,1,4H2,(H2,8,9,10)
InChIKeyPHZASBYVUAZKSP-UHFFFAOYSA-N
XLogP1.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid?
The IUPAC name of (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid (CID 69017472) is (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid.
What is the SMILES notation for (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid?
The canonical SMILES for (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid is C=C1CC=CC=C1P(=O)(O)O.
What is the InChIKey of (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid?
The InChIKey is PHZASBYVUAZKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3P/c1-6-4-2-3-5-7(6)11(8,9)10/h2-3,5H,1,4H2,(H2,8,9,10).
What are the key properties of (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid?
(6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid has a molecular weight of 172.12 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylidenecyclohexa-1,3-dien-1-yl)phosphonic acid is sourced from PubChem (CID 69017472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).