(2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid

C18H17O5P — CID 58572991

IUPAC(2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid
SMILESO=C(OCc1ccccc1)C1=Cc2cc(CP(=O)(O)O)ccc2C1
InChIInChI=1S/C18H17O5P/c19-18(23-11-13-4-2-1-3-5-13)17-9-15-7-6-14(8-16(15)10-17)12-24(20,21)22/h1-8,10H,9,11-12H2,(H2,20,21,22)
InChIKeyXJMMJEGAFXDLQC-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.05
Rot. Bonds5

About (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid

(2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid (PubChem CID 58572991) has the molecular formula C18H17O5P and a molecular weight of 344.30 g/mol. Its IUPAC name is (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid.

Molecular Properties

Compound Name(2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid
PubChem CID58572991
Molecular FormulaC18H17O5P
Molecular Weight344.30 g/mol
Exact Mass344.08
IUPAC Name(2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid
SMILESO=C(OCc1ccccc1)C1=Cc2cc(CP(=O)(O)O)ccc2C1
InChIInChI=1S/C18H17O5P/c19-18(23-11-13-4-2-1-3-5-13)17-9-15-7-6-14(8-16(15)10-17)12-24(20,21)22/h1-8,10H,9,11-12H2,(H2,20,21,22)
InChIKeyXJMMJEGAFXDLQC-UHFFFAOYSA-N
XLogP3.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic 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

benzyl 1,4-dihydroquinoline-3-carboxylate
CID 143406965
azanium (2-oxo-2-phenylmethoxyethyl)phosphonic acid
CID 21123143
benzyl benzoate
CID 2345
1-O-benzyl 2-O-phosphono benzene-1,2-dicarboxylate
CID 57186966
5-benzyl-2-methyl-1H-indene
CID 139825397
benzyl 3-(diethoxyphosphorylmethyl)benzoate
CID 10926532
benzyl 4-(1,3-diphenylpropan-2-ylidene)cyclopentene-1-carboxylate
CID 132543741
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
7-O-benzyl 3-O-ethyl 8-methyl-2H-chromene-3,7-dicarboxylate
CID 67642398
benzyl cyclohexa-1,3-diene-1-carboxylate
CID 53440373
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
naphthalen-2-ylmethylphosphonic acid
CID 3696145

Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid?
The IUPAC name of (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid (CID 58572991) is (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid.
What is the SMILES notation for (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid?
The canonical SMILES for (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid is O=C(OCc1ccccc1)C1=Cc2cc(CP(=O)(O)O)ccc2C1.
What is the InChIKey of (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid?
The InChIKey is XJMMJEGAFXDLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17O5P/c19-18(23-11-13-4-2-1-3-5-13)17-9-15-7-6-14(8-16(15)10-17)12-24(20,21)22/h1-8,10H,9,11-12H2,(H2,20,21,22).
What are the key properties of (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid?
(2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid has a molecular weight of 344.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid is sourced from PubChem (CID 58572991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).