[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid

C19H20O3P2 — CID 118687805

IUPAC[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
SMILESC[C@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)P(=O)(O)O
InChIInChI=1S/C19H20O3P2/c1-15(24(20,21)22)18-13-8-14-19(18)23(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-12,14-15H,13H2,1H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyICQOOLARZNPEJC-OAHLLOKOSA-N
MW358.31 g/mol
LogP3.90
Rot. Bonds5

About [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid

[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid (PubChem CID 118687805) has the molecular formula C19H20O3P2 and a molecular weight of 358.31 g/mol. Its IUPAC name is [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
PubChem CID118687805
Molecular FormulaC19H20O3P2
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Name[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
SMILESC[C@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)P(=O)(O)O
InChIInChI=1S/C19H20O3P2/c1-15(24(20,21)22)18-13-8-14-19(18)23(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-12,14-15H,13H2,1H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyICQOOLARZNPEJC-OAHLLOKOSA-N
XLogP3.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.90
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

ditert-butyl-[1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 85432950
(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine
CID 101255313
1-[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylthiourea
CID 118687923
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine
CID 12658202
1-(2-hydroxyphenyl)ethylphosphonic acid
CID 165144464
[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane
CID 101070950
[2-(2-methylsulfanylbutyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane
CID 102370895
[2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane
CID 101405218
dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane
CID 70795771
[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70880363
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane
CID 3524393

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid?
The IUPAC name of [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid (CID 118687805) is [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid?
The canonical SMILES for [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid is C[C@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)P(=O)(O)O.
What is the InChIKey of [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid?
The InChIKey is ICQOOLARZNPEJC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20O3P2/c1-15(24(20,21)22)18-13-8-14-19(18)23(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-12,14-15H,13H2,1H3,(H2,20,21,22)/t15-/m1/s1.
What are the key properties of [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid?
[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid has a molecular weight of 358.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid is sourced from PubChem (CID 118687805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).