[2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate

C13H13O5P — CID 67822669

IUPAC[2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate
SMILESCc1ccc(OP(=O)(O)O)c(-c2cccc(O)c2)c1
InChIInChI=1S/C13H13O5P/c1-9-5-6-13(18-19(15,16)17)12(7-9)10-3-2-4-11(14)8-10/h2-8,14H,1H3,(H2,15,16,17)
InChIKeyFEDVJDWCQWKFEA-UHFFFAOYSA-N
MW280.22 g/mol
LogP2.84
Rot. Bonds3

About [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate

[2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate (PubChem CID 67822669) has the molecular formula C13H13O5P and a molecular weight of 280.22 g/mol. Its IUPAC name is [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate
PubChem CID67822669
Molecular FormulaC13H13O5P
Molecular Weight280.22 g/mol
Exact Mass280.05
IUPAC Name[2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate
SMILESCc1ccc(OP(=O)(O)O)c(-c2cccc(O)c2)c1
InChIInChI=1S/C13H13O5P/c1-9-5-6-13(18-19(15,16)17)12(7-9)10-3-2-4-11(14)8-10/h2-8,14H,1H3,(H2,15,16,17)
InChIKeyFEDVJDWCQWKFEA-UHFFFAOYSA-N
XLogP2.84
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-5-methylphenyl)phenol
CID 39243395
(4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid
CID 87624270
3-(2,4-dimethylphenyl)phenol
CID 53218508
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
(4-methyl-2-phenylphenyl) hydrogen carbonate
CID 22141660
N-(diaminomethylidene)-3-[2-(3-hydroxyphenyl)-4-methylphenyl]-2-methylprop-2-enamide
CID 76705083
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
4-(3-hydroxyphenyl)-2,6-dimethylbenzene-1,3-diol
CID 101299851
6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol
CID 101299842
(7-hydroxynaphthalen-1-yl) dihydrogen phosphate
CID 153322561
benzene-1,3-diol;phosphoric acid
CID 87069465

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate?
The IUPAC name of [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate (CID 67822669) is [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate.
What is the SMILES notation for [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate?
The canonical SMILES for [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate is Cc1ccc(OP(=O)(O)O)c(-c2cccc(O)c2)c1.
What is the InChIKey of [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate?
The InChIKey is FEDVJDWCQWKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O5P/c1-9-5-6-13(18-19(15,16)17)12(7-9)10-3-2-4-11(14)8-10/h2-8,14H,1H3,(H2,15,16,17).
What are the key properties of [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate?
[2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate has a molecular weight of 280.22 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxyphenyl)-4-methylphenyl] dihydrogen phosphate is sourced from PubChem (CID 67822669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).