3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol

C20H23O2P — CID 102358452

IUPAC3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol
SMILESCCC(C)=C=C(C(C)O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23O2P/c1-4-16(2)15-20(17(3)21)23(22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21H,4H2,1-3H3
InChIKeyQFGDUQCDQSZXLC-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.22
Rot. Bonds5

About 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol

3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol (PubChem CID 102358452) has the molecular formula C20H23O2P and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol.

Molecular Properties

Compound Name3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol
PubChem CID102358452
Molecular FormulaC20H23O2P
Molecular Weight326.38 g/mol
Exact Mass326.14
IUPAC Name3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol
SMILESCCC(C)=C=C(C(C)O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23O2P/c1-4-16(2)15-20(17(3)21)23(22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21H,4H2,1-3H3
InChIKeyQFGDUQCDQSZXLC-UHFFFAOYSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol?
The IUPAC name of 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol (CID 102358452) is 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol.
What is the SMILES notation for 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol?
The canonical SMILES for 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol is CCC(C)=C=C(C(C)O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol?
The InChIKey is QFGDUQCDQSZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O2P/c1-4-16(2)15-20(17(3)21)23(22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21H,4H2,1-3H3.
What are the key properties of 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol?
3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol has a molecular weight of 326.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol is sourced from PubChem (CID 102358452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).