3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid

C11H17O5P — CID 175448034

IUPAC3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
SMILESCC(=Cc1ccccc1)CCO.O=P(O)(O)O
InChIInChI=1S/C11H14O.H3O4P/c1-10(7-8-12)9-11-5-3-2-4-6-11;1-5(2,3)4/h2-6,9,12H,7-8H2,1H3;(H3,1,2,3,4)
InChIKeyXSXMOZOXLWFJTC-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.54
Rot. Bonds3

About 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid

3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid (PubChem CID 175448034) has the molecular formula C11H17O5P and a molecular weight of 260.23 g/mol. Its IUPAC name is 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid.

Molecular Properties

Compound Name3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
PubChem CID175448034
Molecular FormulaC11H17O5P
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Name3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
SMILESCC(=Cc1ccccc1)CCO.O=P(O)(O)O
InChIInChI=1S/C11H14O.H3O4P/c1-10(7-8-12)9-11-5-3-2-4-6-11;1-5(2,3)4/h2-6,9,12H,7-8H2,1H3;(H3,1,2,3,4)
InChIKeyXSXMOZOXLWFJTC-UHFFFAOYSA-N
XLogP1.54
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
CID 102166137
(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
CID 10376576
5-methyl-2-methylidene-6-phenylhex-5-enoic acid
CID 67161387
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
(2E)-2-benzylidenebutane-1,4-diol
CID 14715251
5-methyl-2,6-diphenylhex-5-enal
CID 173438897
3-methyl-4-phenylbut-3-enamide
CID 23660
(Z)-3-methoxy-4-phenylbut-3-en-1-ol
CID 134985756
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid?
The IUPAC name of 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid (CID 175448034) is 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid.
What is the SMILES notation for 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid?
The canonical SMILES for 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid is CC(=Cc1ccccc1)CCO.O=P(O)(O)O.
What is the InChIKey of 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid?
The InChIKey is XSXMOZOXLWFJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.H3O4P/c1-10(7-8-12)9-11-5-3-2-4-6-11;1-5(2,3)4/h2-6,9,12H,7-8H2,1H3;(H3,1,2,3,4).
What are the key properties of 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid?
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid has a molecular weight of 260.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid is sourced from PubChem (CID 175448034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).