[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid

C20H23O5P — CID 129060865

IUPAC[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid
SMILESCc1cc2oc(P(C)(=O)O)cc2c(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C20H23O5P/c1-11(2)15-9-14(6-7-17(15)21)24-20-12(3)8-18-16(13(20)4)10-19(25-18)26(5,22)23/h6-11,21H,1-5H3,(H,22,23)
InChIKeyQTROGPBSTIWFAK-UHFFFAOYSA-N
MW374.37 g/mol
LogP5.20
Rot. Bonds4

About [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid

[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid (PubChem CID 129060865) has the molecular formula C20H23O5P and a molecular weight of 374.37 g/mol. Its IUPAC name is [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid.

Molecular Properties

Compound Name[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid
PubChem CID129060865
Molecular FormulaC20H23O5P
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid
SMILESCc1cc2oc(P(C)(=O)O)cc2c(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C20H23O5P/c1-11(2)15-9-14(6-7-17(15)21)24-20-12(3)8-18-16(13(20)4)10-19(25-18)26(5,22)23/h6-11,21H,1-5H3,(H,22,23)
InChIKeyQTROGPBSTIWFAK-UHFFFAOYSA-N
XLogP5.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
ethane;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methylphosphonic acid
CID 143340233
[difluoro-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methyl]-methylphosphinic acid
CID 129060864
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
[2,6-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenoxy]methylphosphonic acid
CID 129066882
2-[3-bromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-5-methylphenyl]acetic acid
CID 18415138
ethyl 2-[[[(2-ethoxy-2-oxoethyl)amino]-[5-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-4,6-dimethyl-1-benzofuran-2-yl]phosphoryl]amino]acetate
CID 11998967
CID 88964611
CID 88964611
1-(3,5-dimethylphenyl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]urea
CID 10112746
3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135486150
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]prop-2-ene-1-sulfinamide
CID 142200717

Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid?
The IUPAC name of [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid (CID 129060865) is [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid.
What is the SMILES notation for [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid?
The canonical SMILES for [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid is Cc1cc2oc(P(C)(=O)O)cc2c(C)c1Oc1ccc(O)c(C(C)C)c1.
What is the InChIKey of [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid?
The InChIKey is QTROGPBSTIWFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O5P/c1-11(2)15-9-14(6-7-17(15)21)24-20-12(3)8-18-16(13(20)4)10-19(25-18)26(5,22)23/h6-11,21H,1-5H3,(H,22,23).
What are the key properties of [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid?
[5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid has a molecular weight of 374.37 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hydroxy-3-propan-2-ylphenoxy)-4,6-dimethyl-1-benzofuran-2-yl]-methylphosphinic acid is sourced from PubChem (CID 129060865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).