(6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid

C8H9O6P — CID 21125891

IUPAC(6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid
SMILESCOc1c(O)ccc(C=O)c1P(=O)(O)O
InChIInChI=1S/C8H9O6P/c1-14-7-6(10)3-2-5(4-9)8(7)15(11,12)13/h2-4,10H,1H3,(H2,11,12,13)
InChIKeyDHNTWLGMTABVOK-UHFFFAOYSA-N
MW232.13 g/mol
LogP0.02
Rot. Bonds3

About (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid

(6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid (PubChem CID 21125891) has the molecular formula C8H9O6P and a molecular weight of 232.13 g/mol. Its IUPAC name is (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid.

Molecular Properties

Compound Name(6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid
PubChem CID21125891
Molecular FormulaC8H9O6P
Molecular Weight232.13 g/mol
Exact Mass232.01
IUPAC Name(6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid
SMILESCOc1c(O)ccc(C=O)c1P(=O)(O)O
InChIInChI=1S/C8H9O6P/c1-14-7-6(10)3-2-5(4-9)8(7)15(11,12)13/h2-4,10H,1H3,(H2,11,12,13)
InChIKeyDHNTWLGMTABVOK-UHFFFAOYSA-N
XLogP0.02
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde
CID 141256156
3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal
CID 173246032
4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde
CID 142702525
5,8-dihydroxy-4-methoxy-9,10-dioxoanthracene-1-carbaldehyde
CID 139659317
4,6,7-trihydroxynaphthalene-1-carbaldehyde
CID 45092952
2-bromo-3,5-dihydroxy-4-methoxybenzaldehyde
CID 24769860
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde
CID 141008613
4-bromo-2-methoxybenzene-1,3-dicarbaldehyde
CID 171003528
2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde
CID 71769437
2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
CID 84685306
2-acetyl-4-chloro-3-methoxybenzaldehyde
CID 171002186

Frequently Asked Questions

What is the IUPAC name of (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid?
The IUPAC name of (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid (CID 21125891) is (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid.
What is the SMILES notation for (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid?
The canonical SMILES for (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid is COc1c(O)ccc(C=O)c1P(=O)(O)O.
What is the InChIKey of (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid?
The InChIKey is DHNTWLGMTABVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O6P/c1-14-7-6(10)3-2-5(4-9)8(7)15(11,12)13/h2-4,10H,1H3,(H2,11,12,13).
What are the key properties of (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid?
(6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid has a molecular weight of 232.13 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid is sourced from PubChem (CID 21125891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).