(6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid

C7H9O3P — CID 69017474

IUPAC(6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid
SMILESC=C1C=CC=CC1P(=O)(O)O
InChIInChI=1S/C7H9O3P/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5,7H,1H2,(H2,8,9,10)
InChIKeyNHYZRKPWAKDREG-UHFFFAOYSA-N
MW172.12 g/mol
LogP1.21
Rot. Bonds1

About (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid

(6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid (PubChem CID 69017474) has the molecular formula C7H9O3P and a molecular weight of 172.12 g/mol. Its IUPAC name is (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid.

Molecular Properties

Compound Name(6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid
PubChem CID69017474
Molecular FormulaC7H9O3P
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Name(6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid
SMILESC=C1C=CC=CC1P(=O)(O)O
InChIInChI=1S/C7H9O3P/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5,7H,1H2,(H2,8,9,10)
InChIKeyNHYZRKPWAKDREG-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid
CID 10353790
Methylene(phenyl)phosphinic acid
CID 129723581
[Cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite
CID 91487687
[Cyclohexa-1,3-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite
CID 173223032
2-Hydroxyisophosphindole 2-oxide
CID 123421536
[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid
CID 10017574
Cyclohexa-1,3-dien-1-ylphosphonic acid
CID 20284611
[(2E)-4-methylpenta-2,4-dien-2-yl]phosphonic acid
CID 20403109
[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphonic acid
CID 21835318
[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphonic acid
CID 21835319
[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid
CID 53375251
Heptalen-1-ylphosphonic acid
CID 53719447

Frequently Asked Questions

What is the IUPAC name of (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid?
The IUPAC name of (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid (CID 69017474) is (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid.
What is the SMILES notation for (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid?
The canonical SMILES for (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid is C=C1C=CC=CC1P(=O)(O)O.
What is the InChIKey of (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid?
The InChIKey is NHYZRKPWAKDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3P/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5,7H,1H2,(H2,8,9,10).
What are the key properties of (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid?
(6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid has a molecular weight of 172.12 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid is sourced from PubChem (CID 69017474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).