2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid

C14H21O3P — CID 71082160

IUPAC2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid
SMILESCc1ccc([C@H]2CCC(CCP(=O)(O)O)C2)cc1
InChIInChI=1S/C14H21O3P/c1-11-2-5-13(6-3-11)14-7-4-12(10-14)8-9-18(15,16)17/h2-3,5-6,12,14H,4,7-10H2,1H3,(H2,15,16,17)/t12?,14-/m0/s1
InChIKeyGWMKKXVWDJGOGH-PYMCNQPYSA-N
MW268.29 g/mol
LogP3.45
Rot. Bonds4

About 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid

2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid (PubChem CID 71082160) has the molecular formula C14H21O3P and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid.

Molecular Properties

Compound Name2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid
PubChem CID71082160
Molecular FormulaC14H21O3P
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid
SMILESCc1ccc([C@H]2CCC(CCP(=O)(O)O)C2)cc1
InChIInChI=1S/C14H21O3P/c1-11-2-5-13(6-3-11)14-7-4-12(10-14)8-9-18(15,16)17/h2-3,5-6,12,14H,4,7-10H2,1H3,(H2,15,16,17)/t12?,14-/m0/s1
InChIKeyGWMKKXVWDJGOGH-PYMCNQPYSA-N
XLogP3.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene
CID 58122658
1-[(1S)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-4-methylbenzene
CID 89257780
2-[3-(4-methylphenyl)cyclopentyl]ethanamine
CID 82282657
(4aR,4bR,8aR)-2-(4-methylphenyl)-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 21032637
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
2-[3-(4-methylphenyl)cyclohexyl]acetic acid
CID 3367209
1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 90141834
1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene
CID 155216112
[3-(4-methylphenyl)cyclobutyl]methanamine
CID 83635912
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
[4-[4-(4-methylphenyl)phenyl]cyclohexyl]methylsilane
CID 123942923

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid?
The IUPAC name of 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid (CID 71082160) is 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid.
What is the SMILES notation for 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid?
The canonical SMILES for 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid is Cc1ccc([C@H]2CCC(CCP(=O)(O)O)C2)cc1.
What is the InChIKey of 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid?
The InChIKey is GWMKKXVWDJGOGH-PYMCNQPYSA-N. The full InChI is InChI=1S/C14H21O3P/c1-11-2-5-13(6-3-11)14-7-4-12(10-14)8-9-18(15,16)17/h2-3,5-6,12,14H,4,7-10H2,1H3,(H2,15,16,17)/t12?,14-/m0/s1.
What are the key properties of 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid?
2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid has a molecular weight of 268.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid is sourced from PubChem (CID 71082160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).