dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate

C14H19O4P — CID 174766715

IUPACdimethyl 1-phenylhexa-2,4-dien-2-yl phosphate
SMILESCC=CC=C(Cc1ccccc1)OP(=O)(OC)OC
InChIInChI=1S/C14H19O4P/c1-4-5-11-14(18-19(15,16-2)17-3)12-13-9-7-6-8-10-13/h4-11H,12H2,1-3H3
InChIKeyYOODJTGRATVHLM-UHFFFAOYSA-N
MW282.28 g/mol
LogP4.11
Rot. Bonds7

About dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate

dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate (PubChem CID 174766715) has the molecular formula C14H19O4P and a molecular weight of 282.28 g/mol. Its IUPAC name is dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate.

Molecular Properties

Compound Namedimethyl 1-phenylhexa-2,4-dien-2-yl phosphate
PubChem CID174766715
Molecular FormulaC14H19O4P
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Namedimethyl 1-phenylhexa-2,4-dien-2-yl phosphate
SMILESCC=CC=C(Cc1ccccc1)OP(=O)(OC)OC
InChIInChI=1S/C14H19O4P/c1-4-5-11-14(18-19(15,16-2)17-3)12-13-9-7-6-8-10-13/h4-11H,12H2,1-3H3
InChIKeyYOODJTGRATVHLM-UHFFFAOYSA-N
XLogP4.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate?
The IUPAC name of dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate (CID 174766715) is dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate.
What is the SMILES notation for dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate?
The canonical SMILES for dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate is CC=CC=C(Cc1ccccc1)OP(=O)(OC)OC.
What is the InChIKey of dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate?
The InChIKey is YOODJTGRATVHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O4P/c1-4-5-11-14(18-19(15,16-2)17-3)12-13-9-7-6-8-10-13/h4-11H,12H2,1-3H3.
What are the key properties of dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate?
dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate has a molecular weight of 282.28 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-phenylhexa-2,4-dien-2-yl phosphate is sourced from PubChem (CID 174766715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).