(Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one

C19H21O2P — CID 89336042

IUPAC(Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one
SMILESC=C/C=C\C(=C/C)P(=O)(C(=O)C(=C)/C=C\C)c1ccccc1
InChIInChI=1S/C19H21O2P/c1-5-8-13-17(7-3)22(21,18-14-10-9-11-15-18)19(20)16(4)12-6-2/h5-15H,1,4H2,2-3H3/b12-6-,13-8-,17-7+
InChIKeyRPNDINPLUROYQU-LYNPJFSRSA-N
MW312.35 g/mol
LogP4.98
Rot. Bonds7

About (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one

(Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one (PubChem CID 89336042) has the molecular formula C19H21O2P and a molecular weight of 312.35 g/mol. Its IUPAC name is (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one.

Molecular Properties

Compound Name(Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one
PubChem CID89336042
Molecular FormulaC19H21O2P
Molecular Weight312.35 g/mol
Exact Mass312.13
IUPAC Name(Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one
SMILESC=C/C=C\C(=C/C)P(=O)(C(=O)C(=C)/C=C\C)c1ccccc1
InChIInChI=1S/C19H21O2P/c1-5-8-13-17(7-3)22(21,18-14-10-9-11-15-18)19(20)16(4)12-6-2/h5-15H,1,4H2,2-3H3/b12-6-,13-8-,17-7+
InChIKeyRPNDINPLUROYQU-LYNPJFSRSA-N
XLogP4.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one with MolForge

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Related Compounds

but-2-enoyloxy(phenyl)phosphinic acid
CID 151893149
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CID 144870179
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
(E)-but-2-enoic acid;hexa-1,3,5-trienylbenzene
CID 88655191
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469
[ethenyl(methyl)phosphoryl]benzene
CID 10920870
ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate
CID 143257589
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
CID 142604894
phenylphosphonic acid;toluene
CID 174457204
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one?
The IUPAC name of (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one (CID 89336042) is (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one.
What is the SMILES notation for (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one?
The canonical SMILES for (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one is C=C/C=C\C(=C/C)P(=O)(C(=O)C(=C)/C=C\C)c1ccccc1.
What is the InChIKey of (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one?
The InChIKey is RPNDINPLUROYQU-LYNPJFSRSA-N. The full InChI is InChI=1S/C19H21O2P/c1-5-8-13-17(7-3)22(21,18-14-10-9-11-15-18)19(20)16(4)12-6-2/h5-15H,1,4H2,2-3H3/b12-6-,13-8-,17-7+.
What are the key properties of (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one?
(Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one has a molecular weight of 312.35 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one is sourced from PubChem (CID 89336042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).