4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde

C8H9O3P — CID 20793098

IUPAC4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde
SMILESCc1cc(C=O)cc(OP)c1O
InChIInChI=1S/C8H9O3P/c1-5-2-6(4-9)3-7(11-12)8(5)10/h2-4,10H,12H2,1H3
InChIKeyCHGRDFDDAIZJAY-UHFFFAOYSA-N
MW184.13 g/mol
LogP1.68
Rot. Bonds2

About 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde

4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde (PubChem CID 20793098) has the molecular formula C8H9O3P and a molecular weight of 184.13 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde
PubChem CID20793098
Molecular FormulaC8H9O3P
Molecular Weight184.13 g/mol
Exact Mass184.03
IUPAC Name4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde
SMILESCc1cc(C=O)cc(OP)c1O
InChIInChI=1S/C8H9O3P/c1-5-2-6(4-9)3-7(11-12)8(5)10/h2-4,10H,12H2,1H3
InChIKeyCHGRDFDDAIZJAY-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-hydroxy-5-methylbenzaldehyde
CID 58240544
5-formyl-2-hydroxy-3-methylbenzoic acid
CID 158743279
4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
CID 59720398
(2-acetyloxy-5-formyl-3-methylphenyl) acetate
CID 57482558
bis(4-formyl-2,6-dimethylphenyl) carbonate
CID 10019268
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
3-methoxy-5-methyl-4-pentylbenzaldehyde
CID 165123524
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
cyclohexanecarboxylic acid;4-hydroxy-3,5-dimethylbenzaldehyde
CID 160868308

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde?
The IUPAC name of 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde (CID 20793098) is 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde.
What is the SMILES notation for 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde?
The canonical SMILES for 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde is Cc1cc(C=O)cc(OP)c1O.
What is the InChIKey of 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde?
The InChIKey is CHGRDFDDAIZJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3P/c1-5-2-6(4-9)3-7(11-12)8(5)10/h2-4,10H,12H2,1H3.
What are the key properties of 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde?
4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde has a molecular weight of 184.13 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde is sourced from PubChem (CID 20793098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).