4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid

C9H9O5P — CID 175572625

IUPAC4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid
SMILESCc1c(C(=O)O)ccc(O)c1OCP=O
InChIInChI=1S/C9H9O5P/c1-5-6(9(11)12)2-3-7(10)8(5)14-4-15-13/h2-3,10H,4H2,1H3,(H,11,12)
InChIKeyYDAGCCDTCYEQJI-UHFFFAOYSA-N
MW228.14 g/mol
LogP2.03
Rot. Bonds4

About 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid

4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid (PubChem CID 175572625) has the molecular formula C9H9O5P and a molecular weight of 228.14 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid
PubChem CID175572625
Molecular FormulaC9H9O5P
Molecular Weight228.14 g/mol
Exact Mass228.02
IUPAC Name4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid
SMILESCc1c(C(=O)O)ccc(O)c1OCP=O
InChIInChI=1S/C9H9O5P/c1-5-6(9(11)12)2-3-7(10)8(5)14-4-15-13/h2-3,10H,4H2,1H3,(H,11,12)
InChIKeyYDAGCCDTCYEQJI-UHFFFAOYSA-N
XLogP2.03
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-2-methylbenzoic acid
CID 10442073
2,3-dimethylterephthalic acid
CID 158313107
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
CID 91750719
2,3-diethyl-4-hydroxybenzoic acid
CID 66720477
3-(carboxymethylamino)-4-hydroxy-2-methylbenzoic acid
CID 151684749
4-hydroxy-2-methyl-3-pentanoylbenzoic acid
CID 70601986
4-hydroxy-3-(1-hydroxy-2,2-dimethoxyethyl)-2-methylbenzoic acid
CID 69118791
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
3-(difluoromethoxy)-4-fluoro-2-methylbenzoic acid
CID 131290834

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid?
The IUPAC name of 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid (CID 175572625) is 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid?
The canonical SMILES for 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid is Cc1c(C(=O)O)ccc(O)c1OCP=O.
What is the InChIKey of 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid?
The InChIKey is YDAGCCDTCYEQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O5P/c1-5-6(9(11)12)2-3-7(10)8(5)14-4-15-13/h2-3,10H,4H2,1H3,(H,11,12).
What are the key properties of 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid?
4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid has a molecular weight of 228.14 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-3-(phosphorosomethoxy)benzoic acid is sourced from PubChem (CID 175572625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).