dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane

C11H17O2P — CID 88868788

IUPACdihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane
SMILESC=P(O)(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C11H17O2P/c1-9(2)11-6-4-10(5-7-11)8-14(3,12)13/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyISOHVHDWXNCVQZ-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.57
Rot. Bonds3

About dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane

dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane (PubChem CID 88868788) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane
PubChem CID88868788
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Namedihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane
SMILESC=P(O)(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C11H17O2P/c1-9(2)11-6-4-10(5-7-11)8-14(3,12)13/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyISOHVHDWXNCVQZ-UHFFFAOYSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
CID 175927107
CID 175927107
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-(iodomethyl)-4-propan-2-ylbenzene
CID 21326811
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
[4-[[(4-aminocyclohexyl)-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid
CID 23967358
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
1-(dimethylamino)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 79086807
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
CID 89412455
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane?
The IUPAC name of dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane (CID 88868788) is dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane.
What is the SMILES notation for dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane?
The canonical SMILES for dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane is C=P(O)(O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane?
The InChIKey is ISOHVHDWXNCVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-9(2)11-6-4-10(5-7-11)8-14(3,12)13/h4-7,9,12-13H,3,8H2,1-2H3.
What are the key properties of dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane?
dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane has a molecular weight of 212.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methylidene-[(4-propan-2-ylphenyl)methyl]-λ5-phosphane is sourced from PubChem (CID 88868788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).