(4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid

C14H21O5P — CID 175964652

IUPAC(4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid
SMILESCOc1cc(CP(=O)(O)O)cc(OC)c1C1CCCC1
InChIInChI=1S/C14H21O5P/c1-18-12-7-10(9-20(15,16)17)8-13(19-2)14(12)11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16,17)
InChIKeyGSUXXRFYRMHITE-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.04
Rot. Bonds5

About (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid

(4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid (PubChem CID 175964652) has the molecular formula C14H21O5P and a molecular weight of 300.29 g/mol. Its IUPAC name is (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid.

Molecular Properties

Compound Name(4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid
PubChem CID175964652
Molecular FormulaC14H21O5P
Molecular Weight300.29 g/mol
Exact Mass300.11
IUPAC Name(4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid
SMILESCOc1cc(CP(=O)(O)O)cc(OC)c1C1CCCC1
InChIInChI=1S/C14H21O5P/c1-18-12-7-10(9-20(15,16)17)8-13(19-2)14(12)11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16,17)
InChIKeyGSUXXRFYRMHITE-UHFFFAOYSA-N
XLogP3.04
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene
CID 165177469
4-cyclohexyl-3,5-dimethoxybenzoic acid
CID 170351500
(3-hydroxy-4-methoxyphenyl)methylphosphonic acid
CID 20634483
2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
CID 170351002
5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol
CID 155678995
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one
CID 146179008
2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 1277920
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate
CID 142671917

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid?
The IUPAC name of (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid (CID 175964652) is (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid.
What is the SMILES notation for (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid?
The canonical SMILES for (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid is COc1cc(CP(=O)(O)O)cc(OC)c1C1CCCC1.
What is the InChIKey of (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid?
The InChIKey is GSUXXRFYRMHITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O5P/c1-18-12-7-10(9-20(15,16)17)8-13(19-2)14(12)11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16,17).
What are the key properties of (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid?
(4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid has a molecular weight of 300.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyl-3,5-dimethoxyphenyl)methylphosphonic acid is sourced from PubChem (CID 175964652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).